Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50076989'   

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))	BDBM50076989 ((2S,11S,12R)-12-Isobutyl-7-(1-methyl-1H-imidazole-...) Show SMILES CNC(=O)[C@@H]1CCCCN(CCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)S(=O)(=O)c1cn(C)cn1 Show InChI InChI=1S/C22H38N6O6S/c1-15(2)12-17-16(21(30)26-32)8-7-11-28(35(33,34)19-13-27(4)14-24-19)10-6-5-9-18(22(31)23-3)25-20(17)29/h13-18,32H,5-12H2,1-4H3,(H,23,31)(H,25,29)(H,26,30)/t16-,17+,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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
					More data for this Ligand-Target Pair