Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50290455'   

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))	BDBM50290455 ((R)-3-((S)-2,2-Dimethyl-1-methylcarbamoyl-propylca...) Show SMILES CCCCCCCCCCCCCC[C@H](CC(O)=O)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C25H48N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20(19-21(28)29)23(30)27-22(24(31)26-5)25(2,3)4/h20,22H,6-19H2,1-5H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22-/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	50	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