BDBM50448496 CHEMBL3126835
SMILES: CCN1CC2CC(C1)N2C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(cc3n1C2)C(=O)NS(=O)(=O)N(C)C
InChI Key: InChIKey=IUJMDPKKCAMEQP-VSBZUFFNSA-N
Data: 5 EC50
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 1A (Homo sapiens (Human)) | BDBM50448496 (CHEMBL3126835) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development Curated by ChEMBL | Assay Description Inhibition of CYP1A2 in human liver microsomes after 30 mins in presence of NADPH | J Med Chem 57: 1855-79 (2014) Article DOI: 10.1021/jm4016894 BindingDB Entry DOI: 10.7270/Q2V989JD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50448496 (CHEMBL3126835) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development Curated by ChEMBL | Assay Description Inhibition of CYP2D6 in human liver microsomes after 30 mins in presence of NADPH | J Med Chem 57: 1855-79 (2014) Article DOI: 10.1021/jm4016894 BindingDB Entry DOI: 10.7270/Q2V989JD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pregnane X receptor (Homo sapiens (Human)) | BDBM50448496 (CHEMBL3126835) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development Curated by ChEMBL | Assay Description Transactivation of human PXR expressed in human HepG2 cells by luciferase reporter gene assay | J Med Chem 57: 1855-79 (2014) Article DOI: 10.1021/jm4016894 BindingDB Entry DOI: 10.7270/Q2V989JD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50448496 (CHEMBL3126835) | 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 | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development Curated by ChEMBL | Assay Description Inhibition of CYP2C9 in human liver microsomes after 30 mins in presence of NADPH | J Med Chem 57: 1855-79 (2014) Article DOI: 10.1021/jm4016894 BindingDB Entry DOI: 10.7270/Q2V989JD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50448496 (CHEMBL3126835) | 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 | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development Curated by ChEMBL | Assay Description Inhibition of CYP2C19 in human liver microsomes after 30 mins in presence of NADPH | J Med Chem 57: 1855-79 (2014) Article DOI: 10.1021/jm4016894 BindingDB Entry DOI: 10.7270/Q2V989JD | |||||||||||
More data for this Ligand-Target Pair |