Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50112783'   

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))	BDBM50112783 (CHEMBL3609432) Show SMILES CC(=O)OC[C@H]1OC(NS(=O)(=O)ON)C=C[C@@H]1OC(C)=O |r,c:14| Show InChI InChI=1S/C10H16N2O8S/c1-6(13)17-5-9-8(18-7(2)14)3-4-10(19-9)12-21(15,16)20-11/h3-4,8-10,12H,5,11H2,1-2H3/t8-,9+,10?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut des Biomol£cules Max Mousseron (IBMM) UMR 5247 CNRS-ENSCM-Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of full length human carbonic anhydrase-1 by stopped-flow CO2 hydration assay				ACS Med Chem Lett 6: 819-21 (2015) Article DOI: 10.1021/acsmedchemlett.5b00175 BindingDB Entry DOI: 10.7270/Q2NZ89D9
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