Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50490456'   

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))	BDBM50490456 (CHEMBL2326217) Show SMILES CCN([C@H]1C[C@H](C)S(=O)(=O)C2SC(=CC12)S(N)(=O)=O)C(=O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O |r,c:12| Show InChI InChI=1S/C25H38N2O9S3/c1-3-27(19-12-15(2)38(33,34)25-18(19)13-24(37-25)39(26,35)36)22(30)11-10-17-16(20(28)14-21(17)29)8-6-4-5-7-9-23(31)32/h4,6,10-11,13,15-21,25,28-29H,3,5,7-9,12,14H2,1-2H3,(H,31,32)(H2,26,35,36)/b6-4-,11-10+/t15-,16+,17+,18?,19-,20-,21+,25?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 by dansylamide (DNSA) competition assay				Bioorg Med Chem Lett 23: 939-43 (2013) Article DOI: 10.1016/j.bmcl.2012.12.058 BindingDB Entry DOI: 10.7270/Q2VM4G54
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