BDBM50056390 CHEMBL3326585
SMILES: Cc1cc2c(NC(=O)N[C@@H]3CC(C)(C)Oc4cc(OC(F)(F)F)ccc34)cccc2cn1
InChI Key: InChIKey=YJLGMMODESAVMW-LJQANCHMSA-N
Data: 3 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 3A4 (Homo sapiens (Human)) | BDBM50056390 (CHEMBL3326585) | 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 | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc. Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human liver microsomes using 7-benzyloxyquiniline substrate and NADPH incubated up to 2 hrs | J Med Chem 57: 7412-24 (2014) Article DOI: 10.1021/jm500916t BindingDB Entry DOI: 10.7270/Q2Z3219J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human)) | BDBM50056390 (CHEMBL3326585) | 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 | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc. Curated by ChEMBL | Assay Description Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay | J Med Chem 57: 7412-24 (2014) Article DOI: 10.1021/jm500916t BindingDB Entry DOI: 10.7270/Q2Z3219J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50056390 (CHEMBL3326585) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc. Curated by ChEMBL | Assay Description Inhibition of CYP2D6 in human liver microsomes using AMMC substrate and NADPH incubated up to 2 hrs | J Med Chem 57: 7412-24 (2014) Article DOI: 10.1021/jm500916t BindingDB Entry DOI: 10.7270/Q2Z3219J | |||||||||||
More data for this Ligand-Target Pair |