Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50154328'   

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))	BDBM50154328 ((S)-3-Methyl-2-[3-(4-sulfamoyl-phenyl)-thioureido]...) Show SMILES CC(C)[C@H](NC(=S)Nc1ccc(cc1)S(N)(=O)=O)C(O)=O Show InChI InChI=1S/C12H17N3O4S2/c1-7(2)10(11(16)17)15-12(20)14-8-3-5-9(6-4-8)21(13,18)19/h3-7,10H,1-2H3,(H,16,17)(H2,13,18,19)(H2,14,15,20)/t10-/m0/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	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory activity against human Carbonic anhydrase I				J Med Chem 47: 5224-9 (2004) Article DOI: 10.1021/jm049692i BindingDB Entry DOI: 10.7270/Q24F1RHJ
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