Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50329769'   

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))	BDBM50329769 (4-[N-(6-Benzylamino-5-cyano-2-methylthiopyrimidin-...) Show SMILES CSc1nc(NCc2ccccc2)c(C#N)c(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C19H18N6O2S2/c1-28-19-24-17(22-12-13-5-3-2-4-6-13)16(11-20)18(25-19)23-14-7-9-15(10-8-14)29(21,26)27/h2-10H,12H2,1H3,(H2,21,26,27)(H2,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase 2 by thermal shift assay				Bioorg Med Chem 18: 7413-21 (2010) Article DOI: 10.1016/j.bmc.2010.09.011 BindingDB Entry DOI: 10.7270/Q2TB1734
					More data for this Ligand-Target Pair				3D Structure (docked)