Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM234347'   

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))	BDBM234347 (tert-Butyl 2-(2-(4-(4-benzoyl-5-phenyl-3-(5-sulpha...) Show SMILES CC(=O)C(=N/Nc1ccc(cc1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1)\C(=O)OC(C)(C)C Show InChI InChI=1S/C33H30N8O7S2/c1-19(42)25(30(45)48-33(2,3)4)37-36-22-15-17-23(18-16-22)41-27(20-11-7-5-8-12-20)24(28(43)21-13-9-6-10-14-21)26(40-41)29(44)35-31-38-39-32(49-31)50(34,46)47/h5-18,36H,1-4H3,(H2,34,46,47)(H,35,38,44)/b37-25+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	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))	BDBM234347 (tert-Butyl 2-(2-(4-(4-benzoyl-5-phenyl-3-(5-sulpha...) Show SMILES CC(=O)C(=N/Nc1ccc(cc1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1)\C(=O)OC(C)(C)C Show InChI InChI=1S/C33H30N8O7S2/c1-19(42)25(30(45)48-33(2,3)4)37-36-22-15-17-23(18-16-22)41-27(20-11-7-5-8-12-20)24(28(43)21-13-9-6-10-14-21)26(40-41)29(44)35-31-38-39-32(49-31)50(34,46)47/h5-18,36H,1-4H3,(H2,34,46,47)(H,35,38,44)/b37-25+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	108	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))	BDBM234347 (tert-Butyl 2-(2-(4-(4-benzoyl-5-phenyl-3-(5-sulpha...) Show SMILES CC(=O)C(=N/Nc1ccc(cc1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1)\C(=O)OC(C)(C)C Show InChI InChI=1S/C33H30N8O7S2/c1-19(42)25(30(45)48-33(2,3)4)37-36-22-15-17-23(18-16-22)41-27(20-11-7-5-8-12-20)24(28(43)21-13-9-6-10-14-21)26(40-41)29(44)35-31-38-39-32(49-31)50(34,46)47/h5-18,36H,1-4H3,(H2,34,46,47)(H,35,38,44)/b37-25+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	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