Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM234342'   

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))	BDBM234342 (4-Benzoyl-1-(4-(2-(1,3-dioxo-1-phenylbutan-2-ylide...) 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)c1ccccc1 Show InChI InChI=1S/C35H26N8O6S2/c1-21(44)28(32(46)24-15-9-4-10-16-24)39-38-25-17-19-26(20-18-25)43-30(22-11-5-2-6-12-22)27(31(45)23-13-7-3-8-14-23)29(42-43)33(47)37-34-40-41-35(50-34)51(36,48)49/h2-20,38H,1H3,(H2,36,48,49)(H,37,40,47)/b39-28+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	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
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM234342 (4-Benzoyl-1-(4-(2-(1,3-dioxo-1-phenylbutan-2-ylide...) 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)c1ccccc1 Show InChI InChI=1S/C35H26N8O6S2/c1-21(44)28(32(46)24-15-9-4-10-16-24)39-38-25-17-19-26(20-18-25)43-30(22-11-5-2-6-12-22)27(31(45)23-13-7-3-8-14-23)29(42-43)33(47)37-34-40-41-35(50-34)51(36,48)49/h2-20,38H,1H3,(H2,36,48,49)(H,37,40,47)/b39-28+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	244	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))	BDBM234342 (4-Benzoyl-1-(4-(2-(1,3-dioxo-1-phenylbutan-2-ylide...) 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)c1ccccc1 Show InChI InChI=1S/C35H26N8O6S2/c1-21(44)28(32(46)24-15-9-4-10-16-24)39-38-25-17-19-26(20-18-25)43-30(22-11-5-2-6-12-22)27(31(45)23-13-7-3-8-14-23)29(42-43)33(47)37-34-40-41-35(50-34)51(36,48)49/h2-20,38H,1H3,(H2,36,48,49)(H,37,40,47)/b39-28+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	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