BDBM50131960 2-(4'-Methylsulfanyl-biphenyl-4-ylsulfanyl)-5-(4-oxo-4H-benzo[d][1,2,3]triazin-3-ylmethyl)-cyclopentanecarboxylic acid::CHEMBL337946

SMILES: CSc1ccc(cc1)-c1ccc(S[C@H]2CC[C@@H](Cn3nnc4ccccc4c3=O)[C@@H]2C(O)=O)cc1

InChI Key: InChIKey=DAAIDRXNEKWJIQ-LQGLAIQGSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50131960   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50131960 (2-(4'-Methylsulfanyl-biphenyl-4-ylsulfanyl)-5-(4-o...) Show SMILES CSc1ccc(cc1)-c1ccc(S[C@H]2CC[C@@H](Cn3nnc4ccccc4c3=O)[C@@H]2C(O)=O)cc1 Show InChI InChI=1S/C27H25N3O3S2/c1-34-20-11-6-17(7-12-20)18-8-13-21(14-9-18)35-24-15-10-19(25(24)27(32)33)16-30-26(31)22-4-2-3-5-23(22)28-29-30/h2-9,11-14,19,24-25H,10,15-16H2,1H3,(H,32,33)/t19-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherches Servier Curated by ChEMBL					Assay Description Inhibitory activity against matrix metalloprotease-9 (MMP9)				J Med Chem 46: 3840-52 (2003) Article DOI: 10.1021/jm0307638 BindingDB Entry DOI: 10.7270/Q2CC11FF
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50131960 (2-(4'-Methylsulfanyl-biphenyl-4-ylsulfanyl)-5-(4-o...) Show SMILES CSc1ccc(cc1)-c1ccc(S[C@H]2CC[C@@H](Cn3nnc4ccccc4c3=O)[C@@H]2C(O)=O)cc1 Show InChI InChI=1S/C27H25N3O3S2/c1-34-20-11-6-17(7-12-20)18-8-13-21(14-9-18)35-24-15-10-19(25(24)27(32)33)16-30-26(31)22-4-2-3-5-23(22)28-29-30/h2-9,11-14,19,24-25H,10,15-16H2,1H3,(H,32,33)/t19-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherches Servier Curated by ChEMBL					Assay Description Inhibitory activity against matrix metalloprotease-1 (MMP1)				J Med Chem 46: 3840-52 (2003) Article DOI: 10.1021/jm0307638 BindingDB Entry DOI: 10.7270/Q2CC11FF
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50131960 (2-(4'-Methylsulfanyl-biphenyl-4-ylsulfanyl)-5-(4-o...) Show SMILES CSc1ccc(cc1)-c1ccc(S[C@H]2CC[C@@H](Cn3nnc4ccccc4c3=O)[C@@H]2C(O)=O)cc1 Show InChI InChI=1S/C27H25N3O3S2/c1-34-20-11-6-17(7-12-20)18-8-13-21(14-9-18)35-24-15-10-19(25(24)27(32)33)16-30-26(31)22-4-2-3-5-23(22)28-29-30/h2-9,11-14,19,24-25H,10,15-16H2,1H3,(H,32,33)/t19-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherches Servier Curated by ChEMBL					Assay Description Inhibitory activity against matrix metalloprotease-3 (MMP3)				J Med Chem 46: 3840-52 (2003) Article DOI: 10.1021/jm0307638 BindingDB Entry DOI: 10.7270/Q2CC11FF
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50131960 (2-(4'-Methylsulfanyl-biphenyl-4-ylsulfanyl)-5-(4-o...) Show SMILES CSc1ccc(cc1)-c1ccc(S[C@H]2CC[C@@H](Cn3nnc4ccccc4c3=O)[C@@H]2C(O)=O)cc1 Show InChI InChI=1S/C27H25N3O3S2/c1-34-20-11-6-17(7-12-20)18-8-13-21(14-9-18)35-24-15-10-19(25(24)27(32)33)16-30-26(31)22-4-2-3-5-23(22)28-29-30/h2-9,11-14,19,24-25H,10,15-16H2,1H3,(H,32,33)/t19-,24-,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherches Servier Curated by ChEMBL					Assay Description Inhibitory activity against matrix metalloprotease-13 (MMP13)				J Med Chem 46: 3840-52 (2003) Article DOI: 10.1021/jm0307638 BindingDB Entry DOI: 10.7270/Q2CC11FF
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50131960 (2-(4'-Methylsulfanyl-biphenyl-4-ylsulfanyl)-5-(4-o...) Show SMILES CSc1ccc(cc1)-c1ccc(S[C@H]2CC[C@@H](Cn3nnc4ccccc4c3=O)[C@@H]2C(O)=O)cc1 Show InChI InChI=1S/C27H25N3O3S2/c1-34-20-11-6-17(7-12-20)18-8-13-21(14-9-18)35-24-15-10-19(25(24)27(32)33)16-30-26(31)22-4-2-3-5-23(22)28-29-30/h2-9,11-14,19,24-25H,10,15-16H2,1H3,(H,32,33)/t19-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherches Servier Curated by ChEMBL					Assay Description Inhibitory activity against matrix metalloprotease-2 (MMP2)				J Med Chem 46: 3840-52 (2003) Article DOI: 10.1021/jm0307638 BindingDB Entry DOI: 10.7270/Q2CC11FF
					More data for this Ligand-Target Pair