BDBM50458163 CHEMBL4209316

SMILES CNc1nc(Nc2ccc(c(OC)c2)-n2cnc(C)n2)nc2[C@@H](CCc12)c1ccc(F)cc1

InChI Key InChIKey=NDVMOVOEROCRIO-UHFFFAOYSA-N

Data  2 KI  12 IC50  2 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 16 hits for monomerid = 50458163   

TargetPresenilin-1(Human)
Banaras Hindu University

Curated by ChEMBL
LigandPNGBDBM50458163(CHEMBL4209316)
Affinity DataIC50: 7nMAssay Description:Inhibition of gamma-secretase (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetPresenilin-1(Human)
Banaras Hindu University

Curated by ChEMBL
LigandPNGBDBM50458163(CHEMBL4209316)
Affinity DataEC50:  7nMAssay Description:Modulation of gamma-secretase (unknown origin) assessed as inhibition of amyloid beta 42 productionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed
TargetPresenilin-1(Human)
Banaras Hindu University

Curated by ChEMBL
LigandPNGBDBM50458163(CHEMBL4209316)
Affinity DataIC50: 4nMAssay Description:Modulation of gamma secretase (unknown origin) assessed as inhibition of amyloid beta (1 to 42 residues) productionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50458163(CHEMBL4209316)
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of human ERG by patch clamp methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetUDP-glucuronosyltransferase 1A1(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50458163(CHEMBL4209316)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of human UGT1A1More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetSolute carrier organic anion transporter family member 1B1(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50458163(CHEMBL4209316)
Affinity DataIC50: 66nMAssay Description:Inhibition of OATP1B1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50458163(CHEMBL4209316)
Affinity DataEC50: >2.70E+3nMAssay Description:Transactivation of PXR (unknown origin) assessed as CYP450 inductionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50458163(CHEMBL4209316)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50458163(CHEMBL4209316)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of CYP2B6 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50458163(CHEMBL4209316)
Affinity DataIC50: 4.50E+3nMAssay Description:Inhibition of CYP2C8 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50458163(CHEMBL4209316)
Affinity DataIC50: 7.40E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50458163(CHEMBL4209316)
Affinity DataIC50: 8.30E+3nMAssay Description:Inhibition of CYP2C19 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50458163(CHEMBL4209316)
Affinity DataIC50: 1.80E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50458163(CHEMBL4209316)
Affinity DataIC50: 200nMAssay Description:Inhibition of CYP3A4 in human liver microsomes measured after 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50458163(CHEMBL4209316)
Affinity DataKi:  8.25E+4nMAssay Description:Time-dependent inhibition of CYP3A4 in human liver microsomes assessed as inhibition constant by Kitz-Wilson plot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50458163(CHEMBL4209316)
Affinity DataKi:  8.30E+4nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed