Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50118969'   

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))	BDBM50118969 (1-(4-Ethoxy-benzoyl)-4-(4-methoxy-benzenesulfonyl)...) Show SMILES CCOc1ccc(cc1)C(=O)N1CC(N(Cc2ccccc12)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO Show InChI InChI=1S/C26H27N3O7S/c1-3-36-21-10-8-18(9-11-21)26(31)28-17-24(25(30)27-32)29(16-19-6-4-5-7-23(19)28)37(33,34)22-14-12-20(35-2)13-15-22/h4-15,24,32H,3,16-17H2,1-2H3,(H,27,30)	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	24	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-1				Bioorg Med Chem Lett 12: 2867-70 (2002) BindingDB Entry DOI: 10.7270/Q2JS9PSH
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