Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50247267'   

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))	BDBM50247267 ((2S,4S)-Methyl 1-(3-(3,4-dimethoxyphenyl)propanoyl...) Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(=O)CCc1ccc(OC)c(OC)c1)NC(=O)c1cccnc1 |r| Show InChI InChI=1S/C23H27N3O6/c1-30-19-8-6-15(11-20(19)31-2)7-9-21(27)26-14-17(12-18(26)23(29)32-3)25-22(28)16-5-4-10-24-13-16/h4-6,8,10-11,13,17-18H,7,9,12,14H2,1-3H3,(H,25,28)/t17-,18-/m0/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	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay				Eur J Med Chem 43: 2130-9 (2008) Article DOI: 10.1016/j.ejmech.2007.12.020 BindingDB Entry DOI: 10.7270/Q22J6BNP
					More data for this Ligand-Target Pair