Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50343055'   

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))	BDBM50343055 (4-(4-(3-(2,4-dimethylbenzamido)propoxy)phenylsulfo...) Show SMILES Cc1ccc(C(=O)NCCCOc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)c(C)c1 Show InChI InChI=1S/C24H30N2O7S/c1-17-4-9-21(18(2)16-17)22(27)25-12-3-13-33-19-5-7-20(8-6-19)34(30,31)24(23(28)26-29)10-14-32-15-11-24/h4-9,16,29H,3,10-15H2,1-2H3,(H,25,27)(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP2				Bioorg Med Chem Lett 21: 2823-5 (2011) Article DOI: 10.1016/j.bmcl.2011.03.095 BindingDB Entry DOI: 10.7270/Q2CF9QD0
					More data for this Ligand-Target Pair