Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM193744'   

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))	BDBM193744 (tert-Butyl 3-oxo-2-(2-(3-(5-phenyl-3,4-bis((5-sulf...) Show SMILES CC(=O)C(=N\Nc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)Nc2nnc(s2)S(N)(=O)=O)c1-c1ccccc1)\C(=O)OC(C)(C)C Show InChI InChI=1S/C29H28N12O9S4/c1-14(42)19(24(45)50-29(2,3)4)35-34-16-11-8-12-17(13-16)41-21(15-9-6-5-7-10-15)18(22(43)32-25-36-38-27(51-25)53(30,46)47)20(40-41)23(44)33-26-37-39-28(52-26)54(31,48)49/h5-13,34H,1-4H3,(H2,30,46,47)(H2,31,48,49)(H,32,36,43)(H,33,37,44)/b35-19-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	522	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description CA activity was measured according to the method described by Verpoorte et al. in inhibition studies, spectrophotometrically [Biochem., 242:4221-4229...				Bioorg Chem 68: 64-71 (2016) Article DOI: 10.1016/j.bioorg.2016.07.006 BindingDB Entry DOI: 10.7270/Q2N29VQC
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