BDBM50528190 CHEMBL4548795

SMILES COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)C(C)C

InChI Key InChIKey=RIWTUJFFSTVYPW-UHFFFAOYSA-N

Data  15 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 50528190   

TargetActivin receptor type-1(Human)
University of Toronto

Curated by ChEMBL
LigandPNGBDBM50528190(CHEMBL4548795)
Affinity DataIC50: 3nMAssay Description:Inhibition of ALK2 G328V mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetActivin receptor type-1(Human)
University of Toronto

Curated by ChEMBL
LigandPNGBDBM50528190(CHEMBL4548795)
Affinity DataIC50: 5nMAssay Description:Inhibition of ALK2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetActivin receptor type-1(Human)
University of Toronto

Curated by ChEMBL
LigandPNGBDBM50528190(CHEMBL4548795)
Affinity DataIC50: 5nMAssay Description:Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetActivin receptor type-1(Human)
University of Toronto

Curated by ChEMBL
LigandPNGBDBM50528190(CHEMBL4548795)
Affinity DataIC50: 6nMAssay Description:Inhibition of ALK2 R258G mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetActivin receptor type-1(Human)
University of Toronto

Curated by ChEMBL
LigandPNGBDBM50528190(CHEMBL4548795)
Affinity DataIC50: 6nMAssay Description:Inhibition of human ALK2 R206H mutant using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
LigandPNGBDBM50528190(CHEMBL4548795)
Affinity DataIC50: 7nMAssay Description:Inhibition of human ALK1 using casein as substrate in presence of [gamma-33P]ATP and 10 uM ATP by radiometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetActivin receptor type-1(Human)
University of Toronto

Curated by ChEMBL
LigandPNGBDBM50528190(CHEMBL4548795)
Affinity DataEC50:  13nMAssay Description:Inhibition of ALK2 NanoLuc fusion construct (unknown origin) incubated for 2 hrs by NanoBRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetActivin receptor type-1(Human)
University of Toronto

Curated by ChEMBL
LigandPNGBDBM50528190(CHEMBL4548795)
Affinity DataIC50: 14nMAssay Description:Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]ATP and 10 uM ATP by radiometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetActivin receptor type-1(Human)
University of Toronto

Curated by ChEMBL
LigandPNGBDBM50528190(CHEMBL4548795)
Affinity DataIC50: 16nMAssay Description:Inhibition of ALK1/2 in HEK293 cells transfected with BMP response element luciferase based reporter assessed as inhibition of BMP7-induced SMAD-depe...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM50528190(CHEMBL4548795)
Affinity DataIC50: 41nMAssay Description:Inhibition of human TNIK using RLGRDKYKTLRQIRQ as substrate in presence of [gamma-33P]ATP and 10 uM ATP by radiometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetActivin receptor type-1(Human)
University of Toronto

Curated by ChEMBL
LigandPNGBDBM50528190(CHEMBL4548795)
Affinity DataIC50: 52nMAssay Description:Inhibition of C-terminal nanoluciferase-fused ALK2 (unknown origin) expressed in HEK293 cells incubated for 2 hrs followed by NanoBRET NanoGlo Substr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
LigandPNGBDBM50528190(CHEMBL4548795)
Affinity DataEC50:  83nMAssay Description:Inhibition of ALK1 NanoLuc fusion construct (unknown origin) incubated for 2 hrs by NanoBRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM50528190(CHEMBL4548795)
Affinity DataIC50: 88nMAssay Description:Inhibition of human ALK6 using casein as substrate in presence of [gamma-33P]ATP and 10 uM ATP by radiometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM50528190(CHEMBL4548795)
Affinity DataIC50: 168nMAssay Description:Inhibition of human ALK3 using casein as substrate in presence of [gamma-33P]ATP and 10 uM ATP by radiometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM50528190(CHEMBL4548795)
Affinity DataEC50:  536nMAssay Description:Inhibition of ALK3 NanoLuc fusion construct (unknown origin) incubated for 2 hrs by NanoBRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetActivin receptor type-1(Human)
University of Toronto

Curated by ChEMBL
LigandPNGBDBM50528190(CHEMBL4548795)
Affinity DataIC50: 870nMAssay Description:Inhibition of ALK1/2 in HEK293 cells transfected with CAGA response element luciferase based reporter assessed as inhibition of activin A-induced SMA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM50528190(CHEMBL4548795)
Affinity DataEC50:  1.63E+3nMAssay Description:Inhibition of ALK6 NanoLuc fusion construct (unknown origin) incubated for 2 hrs by NanoBRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetActivin receptor type-1B(Human)TBA
LigandPNGBDBM50528190(CHEMBL4548795)
Affinity DataIC50: 1.66E+3nMAssay Description:Inhibition of human ALK4 using casein as substrate in presence of [gamma-33P]ATP and 10 uM ATP by radiometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetTGF-beta receptor type-1(Human)TBA
LigandPNGBDBM50528190(CHEMBL4548795)
Affinity DataIC50: 1.95E+3nMAssay Description:Inhibition of human ALK5 using casein as substrate in presence of [gamma-33P]ATP and 10 uM ATP by radiometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetTGF-beta receptor type-1(Human)TBA
LigandPNGBDBM50528190(CHEMBL4548795)
Affinity DataIC50: 2.14E+3nMAssay Description:Inhibition of human ALK5 using casein as substrate in presence of 10 uM [gamma33P] ATP by radioactive assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetActivin receptor type-1(Human)
University of Toronto

Curated by ChEMBL
LigandPNGBDBM50528190(CHEMBL4548795)
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of ALK1/2 in HEK293 cells transfected with CAGA response element luciferase based reporter assessed as inhibition of TGF beta1-induced SMA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetTGF-beta receptor type-1(Human)TBA
LigandPNGBDBM50528190(CHEMBL4548795)
Affinity DataIC50: 3.90E+3nMAssay Description:Inhibition of ALK5 (unknown origin) expressed in HEK293 cells transfected with CAGA-luciferase and Renilla luciferase reporter measured after 24 hrs ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetTGF-beta receptor type-1(Human)TBA
LigandPNGBDBM50528190(CHEMBL4548795)
Affinity DataEC50:  7.93E+3nMAssay Description:Inhibition of ALK5 NanoLuc fusion construct (unknown origin) incubated for 2 hrs by NanoBRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetActivin receptor type-1B(Human)TBA
LigandPNGBDBM50528190(CHEMBL4548795)
Affinity DataEC50:  8.42E+3nMAssay Description:Inhibition of ALK4 NanoLuc fusion construct (unknown origin) incubated for 2 hrs by NanoBRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetCytochrome P450 2C19(Human)
University of Toronto

Curated by ChEMBL
LigandPNGBDBM50528190(CHEMBL4548795)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate incubated for 40 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
University of Toronto

Curated by ChEMBL
LigandPNGBDBM50528190(CHEMBL4548795)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate incubated for 40 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
University of Toronto

Curated by ChEMBL
LigandPNGBDBM50528190(CHEMBL4548795)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 40 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
University of Toronto

Curated by ChEMBL
LigandPNGBDBM50528190(CHEMBL4548795)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate incubated for 40 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
University of Toronto

Curated by ChEMBL
LigandPNGBDBM50528190(CHEMBL4548795)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate incubated for 40 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
University of Toronto

Curated by ChEMBL
LigandPNGBDBM50528190(CHEMBL4548795)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human ERG expressed in HEK293 cells measured after 5 mins by whole cell patch clamp methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
University of Toronto

Curated by ChEMBL
LigandPNGBDBM50528190(CHEMBL4548795)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 40 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
University of Toronto

Curated by ChEMBL
LigandPNGBDBM50528190(CHEMBL4548795)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorrphan as substrate incubated for 40 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed