Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50372670'   

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))	BDBM50372670 (CHEMBL270989) Show SMILES CC(=O)O[C@@H]1CO[C@@H]([C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H22N4O9S/c1-10(24)30-16-9-29-19(18(32-12(3)26)17(16)31-11(2)25)23-8-15(21-22-23)13-4-6-14(7-5-13)33(20,27)28/h4-8,16-19H,9H2,1-3H3,(H2,20,27,28)/t16-,17-,18+,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human cloned CA1 by CO2 hydration method				J Med Chem 51: 1945-53 (2008) Article DOI: 10.1021/jm701426t BindingDB Entry DOI: 10.7270/Q28P61CM
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