BDBM222059 (3aR,4S,7R,7aS)-2-(4-((E)-3-(pyridin-4-yl)acryloyl)phenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (7n)
SMILES: O=C(\C=C\c1ccncc1)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O
InChI Key: InChIKey=QAXWYKIIXJFBNI-KVGPRDHISA-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 2 (Homo sapiens (Human)) | BDBM222059 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(pyridin-4-yl)acryloyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.490 | -12.7 | 0.551 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Cumhuriyet University | Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr... | Bioorg Chem 70: 118-125 (2017) Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM222059 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(pyridin-4-yl)acryloyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.549 | -12.6 | 0.611 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Cumhuriyet University | Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr... | Bioorg Chem 70: 118-125 (2017) Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB | |||||||||||
More data for this Ligand-Target Pair |