BDBM238300 4-benzoyl-1-(3-((2-hydroxy-4-oxopent-2-en-3-yl) diazenyl)phenyl)-5-phenyl-N-(4-sulfamoylphenyl)-1H-pyrazole-3-carboxamide (5)
SMILES: [#6]-[#6](=O)-[#6](=[#7]\[#7]-c1cccc(c1)-n1nc(-[#6](=O)-[#7]-c2ccc(cc2)S([#7])(=O)=O)c(-[#6](=O)-c2ccccc2)c1-c1ccccc1)\[#6](-[#6])=O
InChI Key: InChIKey=QQBHMNBUYYBYMP-UHFFFAOYSA-N
Data: 2 KI
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)) | BDBM238300 (4-benzoyl-1-(3-((2-hydroxy-4-oxopent-2-en-3-yl) di...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 160 | -9.26 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Dumlupinar University | Assay Description CA activity was assayed in inhibition studies by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion o... | J Enzyme Inhib Med Chem 28: 328-36 (2013) Article DOI: 10.3109/14756366.2011.651465 BindingDB Entry DOI: 10.7270/Q2V986ZJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM238300 (4-benzoyl-1-(3-((2-hydroxy-4-oxopent-2-en-3-yl) di...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 595 | -8.49 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Dumlupinar University | Assay Description CA activity was assayed in inhibition studies by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion o... | J Enzyme Inhib Med Chem 28: 328-36 (2013) Article DOI: 10.3109/14756366.2011.651465 BindingDB Entry DOI: 10.7270/Q2V986ZJ | |||||||||||
More data for this Ligand-Target Pair |