Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50076992'   

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))	BDBM50076992 ((2S,11S,12R)-7-(4-Amino-benzenesulfonyl)-12-isobut...) Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)S(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C24H39N5O6S/c1-16(2)15-20-19(23(31)28-33)7-6-14-29(36(34,35)18-11-9-17(25)10-12-18)13-5-4-8-21(24(32)26-3)27-22(20)30/h9-12,16,19-21,33H,4-8,13-15,25H2,1-3H3,(H,26,32)(H,27,30)(H,28,31)/t19-,20+,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceutical Co. Curated by ChEMBL					Assay Description Inhibition of MMP-1 (human fibroblast collagenase)				Bioorg Med Chem Lett 9: 1279-84 (1999) BindingDB Entry DOI: 10.7270/Q2T43TK4
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