Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50102469'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Collagenase 3 (Homo sapiens (Human))	BDBM50102469 (4-{Carboxy-[(4'-methoxy-biphenyl-4-sulfonyl)-pyrid...) Show SMILES COCCOC(=O)N1CCC(CC1)C(N(Cc1ccccn1)S(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O Show InChI InChI=1S/C30H35N3O8S/c1-39-19-20-41-30(36)32-17-14-24(15-18-32)28(29(34)35)33(21-25-5-3-4-16-31-25)42(37,38)27-12-8-23(9-13-27)22-6-10-26(40-2)11-7-22/h3-13,16,24,28H,14-15,17-21H2,1-2H3,(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-13				J Med Chem 44: 2499-502 (2001) BindingDB Entry DOI: 10.7270/Q2Z89D47
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