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-UHFFFAOYSA-N

Data  6 IC50  19 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 25 hits for monomerid = 50153594   

TargetSteroidogenic factor 1(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 Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50153594(CHEMBL3774855)
Affinity DataEC50:  160nMAssay Description:Inverse agonist activity at human RORgammat LBD (265 to 507 residues) expressed in sf9 cells assessed as corepressor peptide recruiting activity by F...More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor ROR-gamma(Human)
Fudan University

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
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor ROR-gamma(Mouse)
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
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor ROR-gamma(Human)
Fudan University

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
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 3A4(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 Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Fudan University

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
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2C9(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 Article
PubMed
TargetCytochrome P450 2D6(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 Article
PubMed
TargetCytochrome P450 1A2(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 Article
PubMed
TargetCytochrome P450 2A6(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 Article
PubMed
TargetCytochrome P450 2C19(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 Article
PubMed
TargetNuclear receptor ROR-alpha(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 Article
PubMed
TargetRetinoic acid receptor beta(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 Article
PubMed
TargetNuclear receptor ROR-beta(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 Article
PubMed
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 Article
PubMed
TargetRetinoic acid receptor RXR-alpha(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 Article
PubMed
TargetVitamin D3 receptor(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 Article
PubMed
TargetBile acid receptor(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 Article
PubMed
TargetOxysterols receptor LXR-alpha(Mouse)
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 Article
PubMed
TargetPeroxisome proliferator-activated receptor alpha(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 Article
PubMed
TargetPeroxisome proliferator-activated receptor gamma(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 Article
PubMed
TargetPeroxisome proliferator-activated receptor delta(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 Article
PubMed
TargetProgesterone receptor(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 Article
PubMed
TargetRetinoic acid receptor alpha(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 Article
PubMed