Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50267881'   

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))	BDBM50267881 ((R)-5-(2-Nicotinoylhydrazinyl)-5-oxo-4-(3,4,5-trim...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N[C@H](CCC(O)=O)C(=O)NNC(=O)c1cccnc1 |r| Show InChI InChI=1S/C21H24N4O8/c1-31-15-9-13(10-16(32-2)18(15)33-3)19(28)23-14(6-7-17(26)27)21(30)25-24-20(29)12-5-4-8-22-11-12/h4-5,8-11,14H,6-7H2,1-3H3,(H,23,28)(H,24,29)(H,25,30)(H,26,27)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.15E+5	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of MMP2 by spectrophotometry				Bioorg Med Chem 17: 3053-60 (2009) Article DOI: 10.1016/j.bmc.2009.02.063 BindingDB Entry DOI: 10.7270/Q2NP25BQ
					More data for this Ligand-Target Pair