null
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
InChI Key: InChIKey=QJYGIZQMHFSKHA-UHFFFAOYSA-N
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)) | BDBM234343 (4-Benzoyl-1-(4-(2-(1,3-dioxo-1,3-diphenylpropan-2-...) | 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 2 (Homo sapiens (Human)) | BDBM234343 (4-Benzoyl-1-(4-(2-(1,3-dioxo-1,3-diphenylpropan-2-...) | 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 | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM234343 (4-Benzoyl-1-(4-(2-(1,3-dioxo-1,3-diphenylpropan-2-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.18E+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 2 (Homo sapiens (Human)) | BDBM234343 (4-Benzoyl-1-(4-(2-(1,3-dioxo-1,3-diphenylpropan-2-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.42E+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 | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM234343 (4-Benzoyl-1-(4-(2-(1,3-dioxo-1,3-diphenylpropan-2-...) | 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-...) | 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 |