Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM234343'   

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))	BDBM234343 (4-Benzoyl-1-(4-(2-(1,3-dioxo-1,3-diphenylpropan-2-...) Show SMILES [#7]S(=O)(=O)c1nnc(-[#7]-[#6](=O)-c2nn(c(c2-[#6](=O)-c2ccccc2)-c2ccccc2)-c2ccc(-[#7]\[#7]=[#6](/[#6](=O)-c3ccccc3)-[#6](=O)-c3ccccc3)cc2)s1 Show InChI InChI=1S/C40H28N8O6S2/c41-56(53,54)40-46-45-39(55-40)42-38(52)32-31(35(49)26-15-7-2-8-16-26)34(25-13-5-1-6-14-25)48(47-32)30-23-21-29(22-24-30)43-44-33(36(50)27-17-9-3-10-18-27)37(51)28-19-11-4-12-20-28/h1-24,43H,(H2,41,53,54)(H,42,45,52)	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	700	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 1 (Homo sapiens (Human))	BDBM234343 (4-Benzoyl-1-(4-(2-(1,3-dioxo-1,3-diphenylpropan-2-...) Show SMILES [#7]S(=O)(=O)c1nnc(-[#7]-[#6](=O)-c2nn(c(c2-[#6](=O)-c2ccccc2)-c2ccccc2)-c2ccc(-[#7]\[#7]=[#6](/[#6](=O)-c3ccccc3)-[#6](=O)-c3ccccc3)cc2)s1 Show InChI InChI=1S/C40H28N8O6S2/c41-56(53,54)40-46-45-39(55-40)42-38(52)32-31(35(49)26-15-7-2-8-16-26)34(25-13-5-1-6-14-25)48(47-32)30-23-21-29(22-24-30)43-44-33(36(50)27-17-9-3-10-18-27)37(51)28-19-11-4-12-20-28/h1-24,43H,(H2,41,53,54)(H,42,45,52)	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	1.02E+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))	BDBM234343 (4-Benzoyl-1-(4-(2-(1,3-dioxo-1,3-diphenylpropan-2-...) Show SMILES [#7]S(=O)(=O)c1nnc(-[#7]-[#6](=O)-c2nn(c(c2-[#6](=O)-c2ccccc2)-c2ccccc2)-c2ccc(-[#7]\[#7]=[#6](/[#6](=O)-c3ccccc3)-[#6](=O)-c3ccccc3)cc2)s1 Show InChI InChI=1S/C40H28N8O6S2/c41-56(53,54)40-46-45-39(55-40)42-38(52)32-31(35(49)26-15-7-2-8-16-26)34(25-13-5-1-6-14-25)48(47-32)30-23-21-29(22-24-30)43-44-33(36(50)27-17-9-3-10-18-27)37(51)28-19-11-4-12-20-28/h1-24,43H,(H2,41,53,54)(H,42,45,52)	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	4.80E+3	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