Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50288691'   

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))	BDBM50288691 (CHEMBL111601 | [4-(1,3-Dioxo-1,3-dihydro-isoindol-...) Show SMILES COc1ccccc1CC[C@H](CP(O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1 Show InChI InChI=1S/C36H44N3O7P/c1-25(2)23-31(34(41)37-28-14-5-4-6-15-28)38-33(40)27(20-19-26-13-7-10-18-32(26)46-3)24-47(44,45)22-12-11-21-39-35(42)29-16-8-9-17-30(29)36(39)43/h4-10,13-18,25,27,31H,11-12,19-24H2,1-3H3,(H,37,41)(H,38,40)(H,44,45)/t27-,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of gelatinase-A (MMP-2).				Bioorg Med Chem Lett 6: 323-328 (1996) Article DOI: 10.1016/0960-894X(96)00023-6 BindingDB Entry DOI: 10.7270/Q2X0671M
					More data for this Ligand-Target Pair