Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50288888'   

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 2 (Homo sapiens (Human))	BDBM50288888 (3-(4-Methoxy-phenyl)-2-{2-[2-(4-sulfamoyl-benzoyla...) Show SMILES COc1ccc(C[C@H](NC(=O)CNC(=O)CNC(=O)c2ccc(cc2)S(N)(=O)=O)C(O)=O)cc1 |r| Show InChI InChI=1S/C21H24N4O8S/c1-33-15-6-2-13(3-7-15)10-17(21(29)30)25-19(27)12-23-18(26)11-24-20(28)14-4-8-16(9-5-14)34(22,31)32/h2-9,17H,10-12H2,1H3,(H,23,26)(H,24,28)(H,25,27)(H,29,30)(H2,22,31,32)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dissociation constant against human carbonic anhydrase II at 37 degree centigrade				Bioorg Med Chem Lett 6: 559-564 (1996) Article DOI: 10.1016/0960-894X(96)00069-8 BindingDB Entry DOI: 10.7270/Q2V124SF
					More data for this Ligand-Target Pair