Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50267882'   

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))	BDBM50267882 ((R)-5-(4-Fluorophenylamino)-5-oxo-4-(3,4,5-trimeth...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N[C@H](CCC(O)=O)C(=O)Nc1ccc(F)cc1 |r| Show InChI InChI=1S/C21H23FN2O7/c1-29-16-10-12(11-17(30-2)19(16)31-3)20(27)24-15(8-9-18(25)26)21(28)23-14-6-4-13(22)5-7-14/h4-7,10-11,15H,8-9H2,1-3H3,(H,23,28)(H,24,27)(H,25,26)/t15-/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	2.61E+4	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