TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 362.443 | Formula: C18H22N2O4S
H donors: 2 H acceptors: 4 LogP: 2.88 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: ONC(=O)CN(S(=O)(=O)c1ccc(cc1)c1ccccc1)CC(C)C
InChi: 1S/C18H22N2O4S/c1-14(2)12-20(13-18(21)19-22)25(23,24)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14,22H,12-13H2,1-2H3,(H,19,21)
InChiKey: PZJJOMPTIHBGHO-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	matrix metallopeptidase 8 (neutrophil collagenase)	Starlite/ChEMBL	References
Homo sapiens	matrix metallopeptidase 14 (membrane-inserted)	Starlite/ChEMBL	References
Homo sapiens	matrix metallopeptidase 9 (gelatinase B, 92kDa gelatinase, 92kDa type IV collagenase)	Starlite/ChEMBL	References
Homo sapiens	matrix metallopeptidase 3 (stromelysin 1, progelatinase)	Starlite/ChEMBL	References
Homo sapiens	matrix metallopeptidase 2 (gelatinase A, 72kDa gelatinase, 72kDa type IV collagenase)	Starlite/ChEMBL	References
Homo sapiens	matrix metallopeptidase 1 (interstitial collagenase)	Starlite/ChEMBL	References
Homo sapiens	matrix metallopeptidase 13 (collagenase 3)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	IPR002477,Peptidoglycan-binding domain 1;IPR009070,Peptidoglycan binding-like,domain-containing	Get druggable targets OG5_129064	All targets in OG5_129064
Brugia malayi	Matrixin family protein	Get druggable targets OG5_129064	All targets in OG5_129064
Loa Loa (eye worm)	matrixin family protein	Get druggable targets OG5_129064	All targets in OG5_129064
Onchocerca volvulus	Matrilysin homolog	Get druggable targets OG5_129064	All targets in OG5_129064
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	Get druggable targets OG5_129064	All targets in OG5_129064
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129064	All targets in OG5_129064
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	Get druggable targets OG5_129064	All targets in OG5_129064
Schistosoma japonicum	ko:K07996 matrix metalloproteinase-16 (membrane-inserted), putative	Get druggable targets OG5_129064	All targets in OG5_129064
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	Get druggable targets OG5_129064	All targets in OG5_129064

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Matrixin family protein	matrix metallopeptidase 1 (interstitial collagenase)	403 aa	401 aa	27.7 %
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	matrix metallopeptidase 8 (neutrophil collagenase)	467 aa	467 aa	33.4 %
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	matrix metallopeptidase 3 (stromelysin 1, progelatinase)	477 aa	431 aa	34.6 %
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	matrix metallopeptidase 13 (collagenase 3)	471 aa	448 aa	34.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	STE family protein kinase	0.0093	0.0483	1
Echinococcus granulosus	serine threonine protein kinase nrc	0.0023	0.0076	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0067	0.0067
Trichomonas vaginalis	AGC family protein kinase	0.0022	0.0067	0.0754
Giardia lamblia	Kinase, NEK	0.0093	0.0483	1
Schistosoma mansoni	serine/threonine protein kinase	0.0011	0.0004	0.0002
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0013	0.0014	0.0012
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0022	0.0067	0.0066
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0205	0.1141	0.5
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0013	0.0014	0.0012
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0025	0.0086	0.3229
Trichomonas vaginalis	AGC family protein kinase	0.0093	0.0483	1
Echinococcus granulosus	serine/threonine protein kinase	0.0025	0.0086	0.0084
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0013	0.0014	0.0012
Schistosoma mansoni	atypical protein kinase C	0.0027	0.0097	0.0096
Schistosoma mansoni	serine/threonine protein kinase	0.0022	0.0067	0.0066
Schistosoma mansoni	serine/threonine protein kinase	0.0022	0.0067	0.0066
Loa Loa (eye worm)	STE/STE20/MST protein kinase	0.0195	0.1079	0.1079
Schistosoma mansoni	serine/threonine protein kinase	0.0011	0.0004	0.0002
Schistosoma mansoni	serine/threonine protein kinase	0.0028	0.0104	0.0102
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.0011	0.0004	0.0002
Schistosoma mansoni	tyrosine kinase	0.0013	0.0014	0.0012
Schistosoma mansoni	vav2	0.0014	0.0024	0.0022
Brugia malayi	Protein kinase domain containing protein	0.0022	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0926	0.0926
Onchocerca volvulus		0.0239	0.1338	0.241
Brugia malayi	protein kinase C II.	0.0028	0.0104	0.0104
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0022	0.0067	0.0067
Plasmodium falciparum	NIMA related kinase 1	0.0093	0.0483	1
Trypanosoma cruzi	STE/STE20 serine/threonine-protein kinase, putative	0.0049	0.0229	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0002	0.0002
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0028	0.0104	0.0104
Echinococcus multilocularis	MAP kinase activated protein kinase 2	0.1718	1	1
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0041	0.0179	0.0179
Schistosoma mansoni	tyrosine kinase	0.0013	0.0014	0.0012
Echinococcus multilocularis	serine:threonine protein kinase 3	0.0195	0.1079	0.1077
Brugia malayi	p70 ribosomal S6 kinase beta	0.0039	0.0169	0.0169
Echinococcus multilocularis	rac serine:threonine kinase	0.0025	0.0086	0.0084
Entamoeba histolytica	serine/threonine protein kinase STE20, putative	0.0049	0.0229	1
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0013	0.0014	0.0012
Trypanosoma cruzi	STE/STE20 serine/threonine-protein kinase, putative	0.0049	0.0229	1
Brugia malayi	SRC-1	0.0013	0.0014	0.0014
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0022	0.0067	0.0067
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.0179	0.3242
Loa Loa (eye worm)	camk/mapkapk/mapkapk protein kinase	0.1718	1	1
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0022	0.0067	0.0066
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0022	0.0067	0.0066
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.0013	0.0014	0.0014
Brugia malayi	Protein kinase domain containing protein	0.0022	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0136	0.0136
Schistosoma mansoni	hypothetical protein	0.0239	0.1338	0.1336
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0022	0.0067	0.0066
Echinococcus multilocularis	serine threonine protein kinase	0.0056	0.0269	0.0267
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.01	0.0525	0.0524
Brugia malayi	Protein kinase c protein 2	0.0045	0.0206	0.0206
Giardia lamblia	Kinase, STE STE20	0.0049	0.0229	0.3765
Loa Loa (eye worm)	matrixin family protein	0.0494	0.2833	0.2833
Entamoeba histolytica	protein kinase, putative	0.0039	0.0169	0.7163
Leishmania major	protein kinase, putative	0.0049	0.0229	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0022	0.0067	0.0066
Echinococcus granulosus	MAP kinase activated protein kinase 2	0.1718	1	1
Echinococcus granulosus	nervana 2	0.0017	0.0042	0.004
Brugia malayi	Protein kinase domain containing protein	0.0041	0.0179	0.0179
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0013	0.0014	0.0012
Giardia lamblia	Kinase, NEK	0.0093	0.0483	1
Trichomonas vaginalis	STE family protein kinase	0.0049	0.0229	0.435
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0022	0.0067	0.0067
Brugia malayi	RhoGAP domain containing protein	0.0013	0.0014	0.0014
Schistosoma mansoni	tyrosine kinase	0.0013	0.0014	0.0012
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	0.0147	0.0802	0.0802
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.0179	0.3242
Brugia malayi	Hr1 repeat family protein	0.0022	0.0067	0.0067
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0025	0.0086	0.0664
Entamoeba histolytica	protein kinase 2, putative	0.0023	0.0076	0.2748
Giardia lamblia	Kinase, NEK	0.0093	0.0483	1
Brugia malayi	Matrixin family protein	0.0168	0.0926	0.0926
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0017	0.0042	0.004
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0699	0.4034	0.4033
Entamoeba histolytica	protein kinase, putative	0.0022	0.0067	0.2355
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0013	0.0014	0.0012
Loa Loa (eye worm)	SRC-1	0.0013	0.0014	0.0014
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.004	0.0176	0.0176
Brugia malayi	Tyrosine-protein kinase abl-1	0.0013	0.0014	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0166	0.0166
Echinococcus multilocularis	N chimaerin	0.0013	0.0014	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0205	0.1141	0.1141
Echinococcus granulosus	NDR protein kinase	0.0022	0.0067	0.0066
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0025	0.0086	0.3229
Plasmodium vivax	NIMA-related protein kinase (Pfnek-1), putative	0.0093	0.0483	1
Echinococcus multilocularis	myosin iiia	0.0049	0.0229	0.0227
Echinococcus multilocularis	RNA directed DNA polymerase	0.0033	0.0136	0.0134
Brugia malayi	Sex muscle abnormal protein 5	0.0011	0.0002	0.0002
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0205	0.1141	0.1141
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.0011	0.0004	0.0004
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0013	0.0014	0.0012
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0013	0.0014	0.0012
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0699	0.4034	0.4033
Echinococcus multilocularis	nervana 2	0.0017	0.0042	0.004
Entamoeba histolytica	serine/threonine-protein kinase 3, putative	0.0049	0.0229	1
Echinococcus granulosus	nervana 2	0.0017	0.0042	0.004
Echinococcus granulosus	serine:threonine protein kinase N2	0.0022	0.0067	0.0066
Schistosoma mansoni	tyrosine kinase	0.0013	0.0014	0.0012
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0022	0.0067	0.0066
Schistosoma mansoni	serine/threonine protein kinase	0.0061	0.0299	0.0297
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0013	0.0014	0.0012
Brugia malayi	STE20-like kinase MST	0.0195	0.1079	0.1079
Echinococcus multilocularis	c src tyrosine kinase	0.0013	0.0014	0.0012
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0033	0.0136	0.0134
Brugia malayi	Variant SH3 domain containing protein	0.0011	0.0002	0.0002
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.0011	0.0004	0.0004
Echinococcus granulosus	protein kinase c epsilon type	0.0028	0.0104	0.0102
Trypanosoma brucei	STE20-like serine/threonine-protein kinase 1, putative	0.0049	0.0229	1
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0011	0.0002	0.0002
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.0179	0.3242
Trichomonas vaginalis	AGC family protein kinase	0.0023	0.0077	0.098
Brugia malayi	Protein kinase domain containing protein	0.0011	0.0004	0.0004
Echinococcus granulosus	serine:threonine protein kinase 3	0.0195	0.1079	0.1077
Brugia malayi	protein kinase C3,putative	0.0011	0.0004	0.0004
Toxoplasma gondii	NIMA-related protein kinase NIMA1	0.0093	0.0483	1
Brugia malayi	Matrixin family protein	0.0494	0.2833	0.2833
Echinococcus granulosus	guanine nucleotide exchange factor VAV2	0.0013	0.0014	0.0012
Echinococcus granulosus	Protein kinase C brain isozyme	0.0061	0.0299	0.0297
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0013	0.0014	0.0012
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0022	0.0067	0.0066
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0022	0.0067	0.0066
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0022	0.0067	0.0066
Echinococcus granulosus	RNA directed DNA polymerase	0.0033	0.0136	0.0134
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0022	0.0067	0.0067
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0017	0.0042	0.004
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0013	0.0014	0.0012
Brugia malayi	Matrixin family protein	0.0168	0.0926	0.0926
Echinococcus multilocularis	protein kinase c iota type	0.0027	0.0097	0.0096
Entamoeba histolytica	protein kinase, putative	0.0041	0.0179	0.7644
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0255	0.1435	0.1433
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0013	0.0014	0.0012
Echinococcus granulosus	Glutaredoxin protein 5	0.0017	0.0042	0.004
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0023	0.0076	0.0074
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0013	0.0014	0.0012
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.0179	0.3242
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.0179	0.3242
Echinococcus multilocularis	guanine nucleotide exchange factor VAV2	0.0013	0.0014	0.0012
Trypanosoma cruzi	Protein kinase B	0.0025	0.0086	0.0664
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0022	0.0067	0.0067
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0061	0.0299	0.0297
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0013	0.0014	0.0012
Schistosoma mansoni	serine/threonine protein kinase	0.1718	1	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0013	0.0014	0.0012
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0018	0.0048	0.0046
Echinococcus granulosus	N chimaerin	0.0013	0.0014	0.0012
Trichomonas vaginalis	AGC family protein kinase	0.0022	0.0067	0.0754
Echinococcus granulosus	c src tyrosine kinase	0.0013	0.0014	0.0012
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0023	0.0076	0.0074
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0039	0.0169	0.0169
Schistosoma mansoni	serine/threonine kinase	0.0022	0.0067	0.0066
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0374	0.2127	0.7023
Mycobacterium ulcerans	hydrolase	0.0205	0.1141	0.5
Entamoeba histolytica	protein kinase, putative	0.0041	0.0179	0.7644
Schistosoma mansoni	protein kinase C mu	0.0011	0.0004	0.0002
Brugia malayi	Matrixin family protein	0.0168	0.0926	0.0926
Brugia malayi	Protein kinase domain containing protein	0.0147	0.0802	0.0802
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0926	0.0926
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0013	0.0014	0.0012
Schistosoma mansoni	serine/threonine protein kinase	0.0061	0.0299	0.0297
Echinococcus multilocularis	nervana 2	0.0017	0.0042	0.004
Brugia malayi	Variant SH3 domain containing protein	0.0013	0.0014	0.0014
Brugia malayi	Hemopexin family protein	0.0239	0.1338	0.1338
Echinococcus granulosus	protein kinase c iota type	0.0027	0.0097	0.0096
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0013	0.0014	0.0012
Loa Loa (eye worm)	matrix metalloproteinase	0.0168	0.0926	0.0926
Echinococcus granulosus	protein kinase C gamma type	0.0056	0.0269	0.0267
Echinococcus multilocularis	Glutaredoxin protein 5	0.0017	0.0042	0.004
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0013	0.0014	0.0012
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0013	0.0014	0.0012
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0011	0.0002	0.0002
Brugia malayi	Variant SH3 domain containing protein	0.0011	0.0002	0.0002
Brugia malayi	Matrixin family protein	0.0168	0.0926	0.0926
Schistosoma mansoni	ste20-related kinase	0.0151	0.0824	0.0822
Schistosoma mansoni	serine/threonine protein kinase	0.0147	0.0802	0.08
Echinococcus multilocularis	protein kinase c epsilon type	0.0028	0.0104	0.0102
Schistosoma mansoni	serine/threonine-protein kinase	0.0025	0.0086	0.0084
Mycobacterium leprae	PROBABLE HYDROLASE	0.0205	0.1141	0.5
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.0011	0.0004	0.0002
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0013	0.0014	0.0012
Schistosoma mansoni	serine/threonine protein kinase	0.0022	0.0067	0.0066
Brugia malayi	C1-like domain containing protein	0.0011	0.0004	0.0004
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.0179	0.3242
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.0179	0.3242
Onchocerca volvulus	Matrilysin homolog	0.0461	0.2636	1
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0011	0.0004	0.0004
Schistosoma mansoni	serine/threonine-protein kinase	0.0025	0.0086	0.0084
Loa Loa (eye worm)	matrixin family protein	0.0374	0.2127	0.2127
Loa Loa (eye worm)	hypothetical protein	0.0255	0.1435	0.1435
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0013	0.0014	0.0012
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0022	0.0067	0.0066
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0013	0.0014	0.0012
Trichomonas vaginalis	AGC family protein kinase	0.0022	0.0067	0.0754

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 9.4 nM	Inhibition of MMP13-mediated collagen degradation by SDS-PAGE	ChEMBL.	19606871
IC50 (binding)	= 12 nM	Inhibition of MMP2	ChEMBL.	19606871
IC50 (binding)	= 12 nM	Inhibition of MMP2 by fluorometric assay	ChEMBL.	20180536
IC50 (binding)	= 34 nM	Inhibition of MMP9	ChEMBL.	19606871
IC50 (binding)	= 34 nM	Inhibition of MMP9 by fluorometric assay	ChEMBL.	20180536
IC50 (binding)	= 39 nM	Inhibition of MMP13	ChEMBL.	19606871
IC50 (binding)	= 48 nM	Inhibition of MMP8	ChEMBL.	19606871
IC50 (binding)	= 530 nM	Inhibition of human recombinant MMP14	ChEMBL.	19606871
IC50 (binding)	= 530 nM	Inhibition of human recombinant MMP14 by fluorometric assay	ChEMBL.	20180536
IC50 (binding)	= 920 nM	Inhibition of MMP3	ChEMBL.	19606871
IC50 (binding)	= 4100 nM	Inhibition of MMP1-mediated collagen degradation by SDS-PAGE	ChEMBL.	19606871
IC50 (binding)	= 4800 nM	Inhibition of MMP1	ChEMBL.	19606871
IC50 (binding)	= 4800 nM	Inhibition of MMP1 by fluorometric assay	ChEMBL.	20180536
IC50 (binding)	= 53000 nM	Inhibition of human recombinant ADAM17 by fluorometric assay	ChEMBL.	20180536
Inhibition (binding)	= 14 %	Inhibition of ADAM-17-mediated sALCAM release in human A2774 cells at 10 uM by ELISA	ChEMBL.	20180536

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL561625

Bibliographic References

2 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1051487