BDBM50157722 CHEMBL3787323
SMILES: CC1(C)CCC(C)(C)c2cc(ccc12)C1(SCCS1)c1ccc(CCC(O)=O)cc1
InChI Key: InChIKey=HOUMKQOYHWVXDO-UHFFFAOYSA-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 26B1 (Homo sapiens (Human)) | BDBM50157722 (CHEMBL3787323) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 680 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Montana Curated by ChEMBL | Assay Description Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit... | J Med Chem 59: 2579-95 (2016) BindingDB Entry DOI: 10.7270/Q2J38VG8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50157722 (CHEMBL3787323) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Montana Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysis in presence of NADPH | J Med Chem 59: 2579-95 (2016) BindingDB Entry DOI: 10.7270/Q2J38VG8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome CYP26A1 (Homo sapiens (Human)) | BDBM50157722 (CHEMBL3787323) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Montana Curated by ChEMBL | Assay Description Inhibition of microsomal fraction of human CYP26A1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit... | J Med Chem 59: 2579-95 (2016) BindingDB Entry DOI: 10.7270/Q2J38VG8 | |||||||||||
More data for this Ligand-Target Pair |