Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 3' and Ligand = 'BDBM50323745'   

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 3 (Homo sapiens (Human))	BDBM50323745 (CHEMBL1212954 | N1,N12-Bis(trifluoroacetyl)-N4,N8-...) Show SMILES CC(C)(C)OC(=O)N(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C)CCCNC(=O)C(F)(F)F Show InChI InChI=1S/C24H40F6N4O6/c1-21(2,3)39-19(37)33(15-9-11-31-17(35)23(25,26)27)13-7-8-14-34(20(38)40-22(4,5)6)16-10-12-32-18(36)24(28,29)30/h7-16H2,1-6H3,(H,31,35)(H,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.12E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration method				J Med Chem 53: 5511-22 (2010) Article DOI: 10.1021/jm1003667 BindingDB Entry DOI: 10.7270/Q22N52FB
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