Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50290447'   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50290447 ((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...) Show SMILES CCCCCCCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC Show InChI InChI=1S/C28H47N3O4/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-24(22-26(32)31-35)27(33)30-25(28(34)29-2)21-23-18-15-14-16-19-23/h14-16,18-19,24-25,35H,3-13,17,20-22H2,1-2H3,(H,29,34)(H,30,33)(H,31,32)/t24-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem 15: 2223-68 (2007) Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50290447 ((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...) Show SMILES CCCCCCCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC Show InChI InChI=1S/C28H47N3O4/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-24(22-26(32)31-35)27(33)30-25(28(34)29-2)21-23-18-15-14-16-19-23/h14-16,18-19,24-25,35H,3-13,17,20-22H2,1-2H3,(H,29,34)(H,30,33)(H,31,32)/t24-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2).				Bioorg Med Chem Lett 7: 193-198 (1997) Article DOI: 10.1016/S0960-894X(96)00602-6 BindingDB Entry DOI: 10.7270/Q2057FXG
					More data for this Ligand-Target Pair