Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50290445'   

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))	BDBM50290445 ((R)-3-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobuta...) Show SMILES CCCCCCCCCCCCCCC[C@H](CC(O)=O)C(=O)N[C@H](C(=O)NC)C(C)(C)C Show InChI InChI=1S/C26H50N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(20-22(29)30)24(31)28-23(25(32)27-5)26(2,3)4/h21,23H,6-20H2,1-5H3,(H,27,32)(H,28,31)(H,29,30)/t21-,23-/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	90	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