Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50113032'   

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))	BDBM50113032 ((2R,4S)-1-[4-(2-Fluoro-benzyloxy)-benzenesulfonyl]...) Show SMILES ONC(=O)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccccc2F)cc1 Show InChI InChI=1S/C19H21FN2O6S/c20-17-4-2-1-3-13(17)12-28-15-5-7-16(8-6-15)29(26,27)22-10-9-14(23)11-18(22)19(24)21-25/h1-8,14,18,23,25H,9-12H2,(H,21,24)/t14-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against Matrix metalloproteinase-1 was determined				Bioorg Med Chem Lett 12: 1387-90 (2002) BindingDB Entry DOI: 10.7270/Q2GQ6X30
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