BDBM246590 N-((2,3-dimethoxyphenyl)(3,4-dimethoxyphenyl)methyl)methanesulfonamide (28)
SMILES: COc1ccc(cc1OC)C(NS(C)(=O)=O)c1cccc(OC)c1OC
InChI Key: InChIKey=QWPBUVPWNCKPPE-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)) | BDBM246590 (N-((2,3-dimethoxyphenyl)(3,4-dimethoxyphenyl)methy...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 3.68E+3 | -7.41 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Atatürk University | Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ... | J Enzyme Inhib Med Chem 29: 168-74 (2014) Article DOI: 10.3109/14756366.2012.763163 BindingDB Entry DOI: 10.7270/Q2H99447 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM246590 (N-((2,3-dimethoxyphenyl)(3,4-dimethoxyphenyl)methy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 9.23E+3 | -6.86 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Atatürk University | Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ... | J Enzyme Inhib Med Chem 29: 168-74 (2014) Article DOI: 10.3109/14756366.2012.763163 BindingDB Entry DOI: 10.7270/Q2H99447 | |||||||||||
More data for this Ligand-Target Pair |