Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50323938'   

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))	BDBM50323938 ((2S)-2-Amino-N-(1-(2-(3-chlorophenylamino)-2-oxoet...) Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O |r| Show InChI InChI=1S/C22H23ClN4O4/c23-15-7-4-8-16(12-15)25-19(28)13-27-20(29)10-9-18(22(27)31)26-21(30)17(24)11-14-5-2-1-3-6-14/h1-8,12,17-18H,9-11,13,24H2,(H,25,28)(H,26,30)/t17-,18-/m0/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	6.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of MMP2 after 30 mins				Bioorg Med Chem 18: 5981-7 (2010) Article DOI: 10.1016/j.bmc.2010.06.078 BindingDB Entry DOI: 10.7270/Q20R9PKH
					More data for this Ligand-Target Pair