Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50154334'   

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))	BDBM50154334 ((S)-2-[3-(4-Sulfamoyl-phenyl)-thioureido]-succinam...) Show SMILES CNC(=O)COC(=O)[C@H](CC(N)=O)NC(=S)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H19N5O6S2/c1-17-12(21)7-25-13(22)10(6-11(15)20)19-14(26)18-8-2-4-9(5-3-8)27(16,23)24/h2-5,10H,6-7H2,1H3,(H2,15,20)(H,17,21)(H2,16,23,24)(H2,18,19,26)/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	29	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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