Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM234345'   

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))	BDBM234345 (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(C)=O Show InChI InChI=1S/C31H26N8O7S2/c1-3-46-29(43)24(18(2)40)35-34-21-14-16-22(17-15-21)39-26(19-10-6-4-7-11-19)23(27(41)20-12-8-5-9-13-20)25(38-39)28(42)33-30-36-37-31(47-30)48(32,44)45/h4-17,34H,3H2,1-2H3,(H2,32,44,45)(H,33,36,42)/b35-24+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	910	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 1 (Homo sapiens (Human))	BDBM234345 (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(C)=O Show InChI InChI=1S/C31H26N8O7S2/c1-3-46-29(43)24(18(2)40)35-34-21-14-16-22(17-15-21)39-26(19-10-6-4-7-11-19)23(27(41)20-12-8-5-9-13-20)25(38-39)28(42)33-30-36-37-31(47-30)48(32,44)45/h4-17,34H,3H2,1-2H3,(H2,32,44,45)(H,33,36,42)/b35-24+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.19E+3	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 1 (Homo sapiens (Human))	BDBM234345 (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(C)=O Show InChI InChI=1S/C31H26N8O7S2/c1-3-46-29(43)24(18(2)40)35-34-21-14-16-22(17-15-21)39-26(19-10-6-4-7-11-19)23(27(41)20-12-8-5-9-13-20)25(38-39)28(42)33-30-36-37-31(47-30)48(32,44)45/h4-17,34H,3H2,1-2H3,(H2,32,44,45)(H,33,36,42)/b35-24+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.21E+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