Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50079040'   

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))	BDBM50079040 (6-[2-(5-Sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)c2cccc(n2)C(O)=O)s1 Show InChI InChI=1S/C12H12N6O6S2/c13-26(23,24)12-18-17-11(25-12)16-8(19)4-5-14-9(20)6-2-1-3-7(15-6)10(21)22/h1-3H,4-5H2,(H,14,20)(H,21,22)(H2,13,23,24)(H,16,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase isozyme I (hCA I, cytosolic form).				J Med Chem 42: 2641-50 (1999) Article DOI: 10.1021/jm9900523 BindingDB Entry DOI: 10.7270/Q2J67HMK
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