Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50153962'   

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))	BDBM50153962 (4-(4,6-Dihydroxy-[1,3,5]triazin-2-ylamino)-benzene...) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(=O)[nH]c(=O)[nH]2)cc1 Show InChI InChI=1S/C9H9N5O4S/c10-19(17,18)6-3-1-5(2-4-6)11-7-12-8(15)14-9(16)13-7/h1-4H,(H2,10,17,18)(H3,11,12,13,14,15,16)	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
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase I expressed in Escherichia coli BL21				Bioorg Med Chem Lett 14: 5427-33 (2004) Article DOI: 10.1016/j.bmcl.2004.07.087 BindingDB Entry DOI: 10.7270/Q2XD12DQ
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