Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50256568'   

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))	BDBM50256568 (CHEMBL482150 | N-[5-(methylsulfonyl)-1,3,4-thiadia...) Show SMILES CS(=O)(=O)c1nnc(NS(N)(=O)=O)s1 Show InChI InChI=1S/C3H6N4O4S3/c1-13(8,9)3-6-5-2(12-3)7-14(4,10)11/h1H3,(H,5,7)(H2,4,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	103	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem Lett 18: 6332-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.093 BindingDB Entry DOI: 10.7270/Q26T0NK7
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