Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50233893'   

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))	BDBM50233893 (CHEMBL4102420) Show SMILES Cc1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(NC(=O)CCc2nc[nH]n2)c1 Show InChI InChI=1S/C20H19N7O3S/c1-11-9-31-20-16(11)18(29)25-17(26-20)19(30)21-8-12-3-2-4-13(7-12)24-15(28)6-5-14-22-10-23-27-14/h2-4,7,9-10H,5-6,8H2,1H3,(H,21,30)(H,24,28)(H,22,23,27)(H,25,26,29)	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	670	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of APMA-activated recombinant human MMP-2 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric m...				J Med Chem 60: 608-626 (2017) Article DOI: 10.1021/acs.jmedchem.6b01007 BindingDB Entry DOI: 10.7270/Q2W95CF2
					More data for this Ligand-Target Pair