Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50366762'   

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))	BDBM50366762 (CHEMBL1169492) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H]1CCCC[C@H]1C(=O)NO |r| Show InChI InChI=1S/C21H26N2O5S/c1-28-17-11-13-18(14-12-17)29(26,27)23(15-16-7-3-2-4-8-16)20-10-6-5-9-19(20)21(24)22-25/h2-4,7-8,11-14,19-20,25H,5-6,9-10,15H2,1H3,(H,22,24)/t19-,20+/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	361	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-1				Bioorg Med Chem Lett 11: 239-42 (2001) BindingDB Entry DOI: 10.7270/Q2PR7WHJ
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