Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50096468'   

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))	BDBM50096468 (CHEMBL76974 | N-Hydroxy-2-[(4-methoxy-benzenesulfo...) Show SMILES COC(=O)c1cccc(C(=O)NO)c1N(Cc1cccnc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C22H21N3O7S/c1-31-16-8-10-17(11-9-16)33(29,30)25(14-15-5-4-12-23-13-15)20-18(21(26)24-28)6-3-7-19(20)22(27)32-2/h3-13,28H,14H2,1-2H3,(H,24,26)	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	207	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity against Matrix metalloprotease-1				Bioorg Med Chem Lett 11: 235-8 (2001) BindingDB Entry DOI: 10.7270/Q2TH8N78
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