Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM234346'   

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))	BDBM234346 (Diethyl 2-(2-(4-(4-benzoyl-5-phenyl-3-(5-sulphamoy...) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#7]\[#7]-c1ccc(cc1)-n1nc(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c(-[#6](=O)-c2ccccc2)c1-c1ccccc1)\[#6](=O)-[#8]-[#6]-[#6] Show InChI InChI=1S/C32H28N8O8S2/c1-3-47-29(43)25(30(44)48-4-2)36-35-21-15-17-22(18-16-21)40-26(19-11-7-5-8-12-19)23(27(41)20-13-9-6-10-14-20)24(39-40)28(42)34-31-37-38-32(49-31)50(33,45)46/h5-18,35H,3-4H2,1-2H3,(H2,33,45,46)(H,34,37,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	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))	BDBM234346 (Diethyl 2-(2-(4-(4-benzoyl-5-phenyl-3-(5-sulphamoy...) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#7]\[#7]-c1ccc(cc1)-n1nc(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c(-[#6](=O)-c2ccccc2)c1-c1ccccc1)\[#6](=O)-[#8]-[#6]-[#6] Show InChI InChI=1S/C32H28N8O8S2/c1-3-47-29(43)25(30(44)48-4-2)36-35-21-15-17-22(18-16-21)40-26(19-11-7-5-8-12-19)23(27(41)20-13-9-6-10-14-20)24(39-40)28(42)34-31-37-38-32(49-31)50(33,45)46/h5-18,35H,3-4H2,1-2H3,(H2,33,45,46)(H,34,37,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	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))	BDBM234346 (Diethyl 2-(2-(4-(4-benzoyl-5-phenyl-3-(5-sulphamoy...) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#7]\[#7]-c1ccc(cc1)-n1nc(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c(-[#6](=O)-c2ccccc2)c1-c1ccccc1)\[#6](=O)-[#8]-[#6]-[#6] Show InChI InChI=1S/C32H28N8O8S2/c1-3-47-29(43)25(30(44)48-4-2)36-35-21-15-17-22(18-16-21)40-26(19-11-7-5-8-12-19)23(27(41)20-13-9-6-10-14-20)24(39-40)28(42)34-31-37-38-32(49-31)50(33,45)46/h5-18,35H,3-4H2,1-2H3,(H2,33,45,46)(H,34,37,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+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