BDBM50620641 CHEMBL5400213

SMILES Cc1cn(cn1)C1=CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)c1ccc(F)cc1

InChI Key InChIKey=JHVKBJJTUMIPIT-UHFFFAOYSA-N

Data  16 IC50  1 EC50

  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 17 hits for monomerid = 50620641   

TargetAndrogen receptor(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50620641(CHEMBL5400213)
Affinity DataIC50: 80nMAssay Description:Antagonist activity at androgen receptor T877A mutant expressed in HEK293 cells assessed as reduction in DHT-induced transcriptional activation of an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50620641(CHEMBL5400213)
Affinity DataIC50: 100nMAssay Description:Inhibition of recombinant human CYP17A1 using progesterone as substrate incubated for 5 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetEstrogen receptor(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50620641(CHEMBL5400213)
Affinity DataIC50: 103nMAssay Description:Antagonist activity at ERalpha (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetAndrogen receptor(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50620641(CHEMBL5400213)
Affinity DataIC50: 121nMAssay Description:Antagonist activity at wild type androgen receptor expressed in HEK293 cells assessed as reduction in DHT-induced transcriptional activation of andro...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetAndrogen receptor(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50620641(CHEMBL5400213)
Affinity DataIC50: 371nMAssay Description:Antagonist activity at androgen receptor W741L mutant expressed in HEK293 cells assessed as reduction in DHT-induced transcriptional activation of an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetAndrogen receptor(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50620641(CHEMBL5400213)
Affinity DataIC50: 390nMAssay Description:Antagonist activity at androgen receptor F876L mutant expressed in HEK293 cells assessed as reduction in DHT-induced transcriptional activation of an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetEstrogen receptor beta(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50620641(CHEMBL5400213)
Affinity DataIC50: 498nMAssay Description:Antagonist activity at ERbeta (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50620641(CHEMBL5400213)
Affinity DataIC50: 810nMAssay Description:Inhibition of CYP3A4 (unknown origin) using testosterone as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50620641(CHEMBL5400213)
Affinity DataIC50: 1.25E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin) using midazolam substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetAndrogen receptor(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50620641(CHEMBL5400213)
Affinity DataEC50:  1.28E+3nMAssay Description:Induction of androgen receptor degradation in human LNCaP cells incubated for 24 hrs by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50620641(CHEMBL5400213)
Affinity DataIC50: 4.10E+3nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50620641(CHEMBL5400213)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetProgesterone receptor(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50620641(CHEMBL5400213)
Affinity DataIC50: 3.00E+4nMAssay Description:Antagonist activity at PR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetGlucocorticoid receptor(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50620641(CHEMBL5400213)
Affinity DataIC50: 3.00E+4nMAssay Description:Antagonist activity at GR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50620641(CHEMBL5400213)
Affinity DataIC50: 3.08E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50620641(CHEMBL5400213)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of human ERG by patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM50620641(CHEMBL5400213)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed