Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50040614'   

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))	BDBM50040614 ((R)-4-(5-Methoxy-1,3-dioxo-1,3-dihydro-benzo[f]iso...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3cccc(OC)c3cc2C1=O)C(O)=O Show InChI InChI=1S/C33H38N4O7/c1-19(2)15-26(30(39)36-27(29(38)34-3)16-20-9-6-5-7-10-20)35-25(33(42)43)13-14-37-31(40)23-17-21-11-8-12-28(44-4)22(21)18-24(23)32(37)41/h5-12,17-19,25-27,35H,13-16H2,1-4H3,(H,34,38)(H,36,39)(H,42,43)/t25-,26+,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Incorporated Research Institute Curated by ChEMBL					Assay Description Activity against human collagenase (MMP-1).				J Med Chem 37: 674-88 (1994) BindingDB Entry DOI: 10.7270/Q2RV0MRC
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