null

SMILES: [#6]-[#6](=O)-[#6](=[#7]\[#7]-c1ccc(cc1)-n1nc(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c(-[#6](=O)-c2ccccc2)c1-c1ccccc1)\[#6](-[#6])=O

InChI Key: InChIKey=KMCLUNNYLBDUMH-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 234341   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM234341 (4-Benzoyl-1-(4-(2-(2,4-dioxopentan-3-ylidene)hydra...) Show SMILES [#6]-[#6](=O)-[#6](=[#7]\[#7]-c1ccc(cc1)-n1nc(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c(-[#6](=O)-c2ccccc2)c1-c1ccccc1)\[#6](-[#6])=O Show InChI InChI=1S/C30H24N8O6S2/c1-17(39)24(18(2)40)34-33-21-13-15-22(16-14-21)38-26(19-9-5-3-6-10-19)23(27(41)20-11-7-4-8-12-20)25(37-38)28(42)32-29-35-36-30(45-29)46(31,43)44/h3-16,33H,1-2H3,(H2,31,43,44)(H,32,35,42)	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	330	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))	BDBM234341 (4-Benzoyl-1-(4-(2-(2,4-dioxopentan-3-ylidene)hydra...) Show SMILES [#6]-[#6](=O)-[#6](=[#7]\[#7]-c1ccc(cc1)-n1nc(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c(-[#6](=O)-c2ccccc2)c1-c1ccccc1)\[#6](-[#6])=O Show InChI InChI=1S/C30H24N8O6S2/c1-17(39)24(18(2)40)34-33-21-13-15-22(16-14-21)38-26(19-9-5-3-6-10-19)23(27(41)20-11-7-4-8-12-20)25(37-38)28(42)32-29-35-36-30(45-29)46(31,43)44/h3-16,33H,1-2H3,(H2,31,43,44)(H,32,35,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	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))	BDBM234341 (4-Benzoyl-1-(4-(2-(2,4-dioxopentan-3-ylidene)hydra...) Show SMILES [#6]-[#6](=O)-[#6](=[#7]\[#7]-c1ccc(cc1)-n1nc(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c(-[#6](=O)-c2ccccc2)c1-c1ccccc1)\[#6](-[#6])=O Show InChI InChI=1S/C30H24N8O6S2/c1-17(39)24(18(2)40)34-33-21-13-15-22(16-14-21)38-26(19-9-5-3-6-10-19)23(27(41)20-11-7-4-8-12-20)25(37-38)28(42)32-29-35-36-30(45-29)46(31,43)44/h3-16,33H,1-2H3,(H2,31,43,44)(H,32,35,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	103	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))	BDBM234341 (4-Benzoyl-1-(4-(2-(2,4-dioxopentan-3-ylidene)hydra...) Show SMILES [#6]-[#6](=O)-[#6](=[#7]\[#7]-c1ccc(cc1)-n1nc(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c(-[#6](=O)-c2ccccc2)c1-c1ccccc1)\[#6](-[#6])=O Show InChI InChI=1S/C30H24N8O6S2/c1-17(39)24(18(2)40)34-33-21-13-15-22(16-14-21)38-26(19-9-5-3-6-10-19)23(27(41)20-11-7-4-8-12-20)25(37-38)28(42)32-29-35-36-30(45-29)46(31,43)44/h3-16,33H,1-2H3,(H2,31,43,44)(H,32,35,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	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))	BDBM234341 (4-Benzoyl-1-(4-(2-(2,4-dioxopentan-3-ylidene)hydra...) Show SMILES [#6]-[#6](=O)-[#6](=[#7]\[#7]-c1ccc(cc1)-n1nc(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c(-[#6](=O)-c2ccccc2)c1-c1ccccc1)\[#6](-[#6])=O Show InChI InChI=1S/C30H24N8O6S2/c1-17(39)24(18(2)40)34-33-21-13-15-22(16-14-21)38-26(19-9-5-3-6-10-19)23(27(41)20-11-7-4-8-12-20)25(37-38)28(42)32-29-35-36-30(45-29)46(31,43)44/h3-16,33H,1-2H3,(H2,31,43,44)(H,32,35,42)	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	572	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))	BDBM234341 (4-Benzoyl-1-(4-(2-(2,4-dioxopentan-3-ylidene)hydra...) Show SMILES [#6]-[#6](=O)-[#6](=[#7]\[#7]-c1ccc(cc1)-n1nc(-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)c(-[#6](=O)-c2ccccc2)c1-c1ccccc1)\[#6](-[#6])=O Show InChI InChI=1S/C30H24N8O6S2/c1-17(39)24(18(2)40)34-33-21-13-15-22(16-14-21)38-26(19-9-5-3-6-10-19)23(27(41)20-11-7-4-8-12-20)25(37-38)28(42)32-29-35-36-30(45-29)46(31,43)44/h3-16,33H,1-2H3,(H2,31,43,44)(H,32,35,42)	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	570	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