BDBM50153594 CHEMBL3774855

SMILES CC(C)C[C@H]1C[C@H](C1)c1nnc([C@H]2CN(C[C@@H]2C(=O)Nc2ccc(C)cc2C)C(C)=O)n1C1CC1

InChI Key InChIKey=NRAQMBSBKYAKMR-DVKRWUGUSA-N

Data  6 IC50  18 EC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50153594   

TargetRetinoic acid receptor beta(Homo sapiens (Human))
Central Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50153594(CHEMBL3774855)
Affinity DataEC50: >2.00E+4nMAssay Description:Inhibition of human RARbetaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Kyoto Prefectural University Of Medicine

Curated by ChEMBL
LigandPNGBDBM50153594(CHEMBL3774855)
Affinity DataEC50:  34nMAssay Description:Inhibition of human GAL4-fused RORgamma LBD transcriptional activity expressed in CHOK1 cells after 2 days by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetProgesterone receptor(Homo sapiens (Human))
Central Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50153594(CHEMBL3774855)
Affinity DataEC50: >2.00E+4nMAssay Description:Inhibition of human PRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor delta(Homo sapiens (Human))
Central Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50153594(CHEMBL3774855)
Affinity DataEC50: >2.00E+4nMAssay Description:Inhibition of human PPARdeltaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Central Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50153594(CHEMBL3774855)
Affinity DataEC50: >2.00E+4nMAssay Description:Inhibition of human PPARgammaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Central Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50153594(CHEMBL3774855)
Affinity DataEC50: >2.00E+4nMAssay Description:Inhibition of human PPARalphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxysterols receptor LXR-alpha(Mus musculus)
Central Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50153594(CHEMBL3774855)
Affinity DataEC50: >2.00E+4nMAssay Description:Inhibition of mouse LXRalphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Central Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50153594(CHEMBL3774855)
Affinity DataEC50: >2.00E+4nMAssay Description:Inhibition of human FXRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVitamin D3 receptor(Homo sapiens (Human))
Central Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50153594(CHEMBL3774855)
Affinity DataEC50: >2.00E+4nMAssay Description:Inhibition of human VDRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
Central Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50153594(CHEMBL3774855)
Affinity DataEC50: >2.00E+4nMAssay Description:Inhibition of human RXRalphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlucocorticoid receptor(MOUSE)
Central Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50153594(CHEMBL3774855)
Affinity DataEC50: >2.00E+4nMAssay Description:Inhibition of mouse GRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
Central Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50153594(CHEMBL3774855)
Affinity DataEC50: >2.00E+4nMAssay Description:Inhibition of human RORbetaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteroidogenic factor 1(Homo sapiens (Human))
Central Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50153594(CHEMBL3774855)
Affinity DataEC50: >2.00E+4nMAssay Description:Inhibition of human SF-1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Central Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50153594(CHEMBL3774855)
Affinity DataEC50: >2.00E+4nMAssay Description:Inhibition of human RORalphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Central Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50153594(CHEMBL3774855)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated with substrate for 5 mins followed by NADPH addition me...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
Central Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50153594(CHEMBL3774855)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated with substrate for 5 mins followed by NADPH addition measured...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Central Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50153594(CHEMBL3774855)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using ethoxyresorufin as substrate preincubated with substrate for 5 mins followed by NADPH addition m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Central Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50153594(CHEMBL3774855)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate preincubated with substrate for 5 mins followed by NADPH addition measure...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Central Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50153594(CHEMBL3774855)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated with substrate for 5 mins followed by NADPH addition measur...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Kyoto Prefectural University Of Medicine

Curated by ChEMBL
LigandPNGBDBM50153594(CHEMBL3774855)
Affinity DataEC50:  200nMAssay Description:Inhibition of human GST-tagged RORgamma ligand binding domain (253 to 518 residues) expressed in sf9 cells using biotin-EEPSLLKKLLLAPA by FRET assayMore data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Central Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50153594(CHEMBL3774855)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated with substrate for 5 mins followed by NADPH addition measure...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Kyoto Prefectural University Of Medicine

Curated by ChEMBL
LigandPNGBDBM50153594(CHEMBL3774855)
Affinity DataEC50:  34nMAssay Description:Inhibition of human RORgamma ligand binding domain (Serine 253 to Lysine 518 residues) expressed in CHOK1 cells incubated for 2 days by Gal4 lucifera...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Mus musculus)
Central Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50153594(CHEMBL3774855)
Affinity DataEC50:  29nMAssay Description:Inhibition of mouse RORgamma ligand binding domain (Isoleucine 251 to Lysine 516) expressed in CHOK1 cells incubated for 2 days by Gal4 luciferase re...More data for this Ligand-Target Pair
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Central Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50153594(CHEMBL3774855)
Affinity DataEC50: >2.00E+4nMAssay Description:Inhibition of human RARalphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed