Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50101511'   

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))	BDBM50101511 (2-[3-(4-Chloro-phenyl)-propyl]-N*1*-(2-cyclohexyl-...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CCNC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CCCc2ccc(Cl)cc2)CC(=O)NO)cc1 Show InChI InChI=1S/C33H46ClN5O7S/c34-27-13-9-23(10-14-27)7-4-8-26(22-31(41)39-44)32(42)38-29(21-25-5-2-1-3-6-25)33(43)37-20-18-30(40)36-19-17-24-11-15-28(16-12-24)47(35,45)46/h9-16,25-26,29,44H,1-8,17-22H2,(H,36,40)(H,37,43)(H,38,42)(H,39,41)(H2,35,45,46)/t26-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Inhibitory constant against matrix metalloproteinase-2				J Med Chem 44: 2333-43 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KFR
					More data for this Ligand-Target Pair