Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50190243'   

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 1 (Homo sapiens (Human))	BDBM50190243 (6-{[7-(aminosulfonyl)-1,1-dioxido-3,4-dihydro-2H-1...) Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1SSc1cc2NCNS(=O)(=O)c2cc1S(N)(=O)=O Show InChI InChI=1S/C14H16N6O8S6/c15-31(21,22)13-3-11-7(17-5-19-33(11,25)26)1-9(13)29-30-10-2-8-12(4-14(10)32(16,23)24)34(27,28)20-6-18-8/h1-4,17-20H,5-6H2,(H2,15,21,22)(H2,16,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned CA1 by CO2 hydration assay				Bioorg Med Chem Lett 16: 4846-51 (2006) Article DOI: 10.1016/j.bmcl.2006.06.064 BindingDB Entry DOI: 10.7270/Q2794493
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