Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50320426'   

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))	BDBM50320426 (CHEMBL1083291 | cis-4-(4-(4-(3,5-dimethylmorpholin...) Show SMILES C[C@H]1COC[C@@H](C)N1C(=O)C1CCN(CC1)c1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO |r| Show InChI InChI=1S/C24H35N3O7S/c1-17-15-34-16-18(2)27(17)22(28)19-7-11-26(12-8-19)20-3-5-21(6-4-20)35(31,32)24(23(29)25-30)9-13-33-14-10-24/h3-6,17-19,30H,7-16H2,1-2H3,(H,25,29)/t17-,18+	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Research& Development Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 20: 3561-4 (2010) Article DOI: 10.1016/j.bmcl.2010.04.111 BindingDB Entry DOI: 10.7270/Q28052S4
					More data for this Ligand-Target Pair