Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50128647'   

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))	BDBM50128647 (4-[4-(4-chloro-benzyloxy)-benzenesulfonyl]-1-(4-me...) Show SMILES Cc1ccc(CN2CCC(CC2)(C(=O)NO)S(=O)(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 Show InChI InChI=1S/C27H29ClN2O5S/c1-20-2-4-21(5-3-20)18-30-16-14-27(15-17-30,26(31)29-32)36(33,34)25-12-10-24(11-13-25)35-19-22-6-8-23(28)9-7-22/h2-13,32H,14-19H2,1H3,(H,29,31)	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	4.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-1				J Med Chem 46: 2376-96 (2003) Article DOI: 10.1021/jm0205550 BindingDB Entry DOI: 10.7270/Q2N0178C
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