BDBM178057 1-[3,6a-Bis(3,4-dimethoxyphenyl)-4,5,6,6a-tetrahydrocyclopenta[c]pyrazol-1(3aH)-yl]ethanone (21)
SMILES: COc1ccc(cc1OC)C1=NN(C(C)=O)C2(CCCC12)c1ccc(OC)c(OC)c1
InChI Key: InChIKey=GKOMCCWEFFMNGZ-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)) | BDBM178057 (1-[3,6a-Bis(3,4-dimethoxyphenyl)-4,5,6,6a-tetrahyd...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 492 | n/a | 564 | n/a | n/a | n/a | n/a | n/a | n/a |
Atat£rk University | Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ... | Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM178057 (1-[3,6a-Bis(3,4-dimethoxyphenyl)-4,5,6,6a-tetrahyd...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 606 | n/a | 441 | n/a | n/a | n/a | n/a | n/a | n/a |
Atat£rk University | Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ... | Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q | |||||||||||
More data for this Ligand-Target Pair |