Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50165766'   

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
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50165766 (4-{4-[4-sulfamoylphenethylamino(thioxo)methylamino...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(cc2)S(=O)(=O)NCc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C22H25N5O6S4/c23-35(28,29)19-7-1-16(2-8-19)13-14-25-22(34)27-18-5-11-21(12-6-18)37(32,33)26-15-17-3-9-20(10-4-17)36(24,30)31/h1-12,26H,13-15H2,(H2,23,28,29)(H2,24,30,31)(H2,25,27,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase IX				Bioorg Med Chem Lett 15: 2359-64 (2005) Article DOI: 10.1016/j.bmcl.2005.02.087 BindingDB Entry DOI: 10.7270/Q2ZC82CW
					More data for this Ligand-Target Pair