BDBM50056352 CHEMBL3326570
SMILES: CC1(C)C[C@@H](NC(=O)Nc2cccc3cnccc23)c2ccc(F)cc2O1
InChI Key: InChIKey=UGNRNJDBLIKGQC-GOSISDBHSA-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)) | BDBM50056352 (CHEMBL3326570) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 660 | 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)) | BDBM50056352 (CHEMBL3326570) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4 | 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)) | BDBM50056352 (CHEMBL3326570) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | <80 | 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 |