BDBM50499447 CHEMBL3739521
SMILES: CC(C)N1CCC(CC1)NC(=O)c1nc(C(C)C)n2ccccc12
InChI Key: InChIKey=NYLMCZPRGYKYHL-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50499447 (CHEMBL3739521) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd. Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 2 mins by LC-MS/MS analysis in presence of NADPH regeneration syste... | Eur J Med Chem 103: 289-301 (2015) Article DOI: 10.1016/j.ejmech.2015.08.051 BindingDB Entry DOI: 10.7270/Q20C4ZST | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50499447 (CHEMBL3739521) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 5.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd. Curated by ChEMBL | Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 12 mins by LC-MS/MS analysis in presence of NADPH regenerati... | Eur J Med Chem 103: 289-301 (2015) Article DOI: 10.1016/j.ejmech.2015.08.051 BindingDB Entry DOI: 10.7270/Q20C4ZST | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin (5-HT) receptor (Homo sapiens (Human)) | BDBM50499447 (CHEMBL3739521) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 3.40 | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd. Curated by ChEMBL | Assay Description Agonist activity at human 5HT4e receptor expressed in CHO cells assessed as cAMP level after 4 hrs by luciferase reporter gene assay | Eur J Med Chem 103: 289-301 (2015) Article DOI: 10.1016/j.ejmech.2015.08.051 BindingDB Entry DOI: 10.7270/Q20C4ZST | |||||||||||
More data for this Ligand-Target Pair |