Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM234344'   

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 2 (Homo sapiens (Human))	BDBM234344 (Ethyl 2-(2-(4-(4-benzoyl-5-phenyl-3-(5-sulphamoyl-...) Show SMILES CCOC(=O)C(=N\Nc1ccc(cc1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1)\C(=O)c1ccccc1 Show InChI InChI=1S/C36H28N8O7S2/c1-2-51-34(48)29(32(46)24-16-10-5-11-17-24)40-39-25-18-20-26(21-19-25)44-30(22-12-6-3-7-13-22)27(31(45)23-14-8-4-9-15-23)28(43-44)33(47)38-35-41-42-36(52-35)53(37,49)50/h3-21,39H,2H2,1H3,(H2,37,49,50)(H,38,41,47)/b40-29+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	498	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description The Ki values were determined as described in the literature [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; Bülbül et al., J. Enzyme I...				J Enzyme Inhib Med Chem 26: 231-7 (2011) Article DOI: 10.3109/14756366.2010.491795 BindingDB Entry DOI: 10.7270/Q2DZ0754
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM234344 (Ethyl 2-(2-(4-(4-benzoyl-5-phenyl-3-(5-sulphamoyl-...) Show SMILES CCOC(=O)C(=N\Nc1ccc(cc1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1)\C(=O)c1ccccc1 Show InChI InChI=1S/C36H28N8O7S2/c1-2-51-34(48)29(32(46)24-16-10-5-11-17-24)40-39-25-18-20-26(21-19-25)44-30(22-12-6-3-7-13-22)27(31(45)23-14-8-4-9-15-23)28(43-44)33(47)38-35-41-42-36(52-35)53(37,49)50/h3-21,39H,2H2,1H3,(H2,37,49,50)(H,38,41,47)/b40-29+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	7.4	n/a
Dumlupinar University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 26: 231-7 (2011) Article DOI: 10.3109/14756366.2010.491795 BindingDB Entry DOI: 10.7270/Q2DZ0754
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM234344 (Ethyl 2-(2-(4-(4-benzoyl-5-phenyl-3-(5-sulphamoyl-...) Show SMILES CCOC(=O)C(=N\Nc1ccc(cc1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1)\C(=O)c1ccccc1 Show InChI InChI=1S/C36H28N8O7S2/c1-2-51-34(48)29(32(46)24-16-10-5-11-17-24)40-39-25-18-20-26(21-19-25)44-30(22-12-6-3-7-13-22)27(31(45)23-14-8-4-9-15-23)28(43-44)33(47)38-35-41-42-36(52-35)53(37,49)50/h3-21,39H,2H2,1H3,(H2,37,49,50)(H,38,41,47)/b40-29+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description Carbonic anhydrase (CA) activity was assayed by following the hydration of CO2 according to the method described by Wilbur and Anderson [Wilbur et al...				J Enzyme Inhib Med Chem 26: 231-7 (2011) Article DOI: 10.3109/14756366.2010.491795 BindingDB Entry DOI: 10.7270/Q2DZ0754
					More data for this Ligand-Target Pair