BDBM50434677 CHEMBL2387500
SMILES: Cc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1
InChI Key: InChIKey=QEECLILKOYZESR-UHFFFAOYSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50434677 (CHEMBL2387500) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd Curated by ChEMBL | Assay Description Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis | Bioorg Med Chem 21: 2868-78 (2013) Article DOI: 10.1016/j.bmc.2013.03.069 BindingDB Entry DOI: 10.7270/Q2JM2C1J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin E synthase (Homo sapiens (Human)) | BDBM50434677 (CHEMBL2387500) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd Curated by ChEMBL | Assay Description Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein... | Bioorg Med Chem 21: 2868-78 (2013) Article DOI: 10.1016/j.bmc.2013.03.069 BindingDB Entry DOI: 10.7270/Q2JM2C1J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50434677 (CHEMBL2387500) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd Curated by ChEMBL | Assay Description Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis | Bioorg Med Chem 21: 2868-78 (2013) Article DOI: 10.1016/j.bmc.2013.03.069 BindingDB Entry DOI: 10.7270/Q2JM2C1J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50434677 (CHEMBL2387500) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd Curated by ChEMBL | Assay Description Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis | Bioorg Med Chem 21: 2868-78 (2013) Article DOI: 10.1016/j.bmc.2013.03.069 BindingDB Entry DOI: 10.7270/Q2JM2C1J | |||||||||||
More data for this Ligand-Target Pair |