Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50064794'   

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
Interstitial collagenase (Homo sapiens (Human))	BDBM50064794 ((3R,6S)-6-Cyclohexylmethyl-3-mercaptomethyl-1-quin...) Show SMILES SC[C@@H]1NC(=O)[C@H](CC2CCCCC2)N(Cc2ccc3ccccc3n2)C1=O Show InChI InChI=1S/C22H27N3O2S/c26-21-20(12-15-6-2-1-3-7-15)25(22(27)19(14-28)24-21)13-17-11-10-16-8-4-5-9-18(16)23-17/h4-5,8-11,15,19-20,28H,1-3,6-7,12-14H2,(H,24,26)/t19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description Inhibition of Matrix Metalloproteinase-1				J Med Chem 41: 2194-200 (1998) Article DOI: 10.1021/jm980133j BindingDB Entry DOI: 10.7270/Q2J38RN8
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