BDBM254828 US9487554, 15
SMILES: COc1cncc(c1)C1=CC[C@H]2[C@@H]3CCc4cc(ccc4[C@H]3CC[C@]12C)C(=O)NCCC(O)=O
InChI Key: InChIKey=ROUZGKLJECIXEC-XVTSZCMISA-N
Data: 2 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P (Homo sapiens (Human)) | BDBM254828 (US9487554, 15) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Bayer Intellectual Property GmbH; Bayer Pharma Aktiengesellschaft US Patent | Assay Description Essentially, the enzyme activity is measured by quantification of the Coumberol from Coumberone (Halim, M., Yee, D. J., and Sames, D., J. AM. CHEM. S... | US Patent US9487554 (2016) BindingDB Entry DOI: 10.7270/Q2KK99Q9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P (Homo sapiens (Human)) | BDBM254828 (US9487554, 15) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Bayer Intellectual Property GmbH; Bayer Pharma Aktiengesellschaft US Patent | Assay Description Essentially, the enzyme activity is measured by quantification of the Coumberol from Coumberone (Halim, M., Yee, D. J., and Sames, D., J. AM. CHEM. S... | US Patent US9487554 (2016) BindingDB Entry DOI: 10.7270/Q2KK99Q9 | |||||||||||
More data for this Ligand-Target Pair |