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BDBM50001585 CHEMBL3237443::US8841312, 57

SMILES: Fc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12

InChI Key: InChIKey=IEPYZPJZYINELK-UHFFFAOYSA-N

Data: 7 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50001585   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50001585
PNG
(CHEMBL3237443 | US8841312, 57)
Show SMILES Fc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12
Show InChI InChI=1S/C23H25FN8/c24-21-20-17(7-8-26-21)18-14-28-23(30-22(18)32(20)15-3-1-2-4-15)29-19-6-5-16(13-27-19)31-11-9-25-10-12-31/h5-8,13-15,25H,1-4,9-12H2,(H,27,28,29,30)
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US Patent
n/an/a 2n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)


BindingDB Entry DOI: 10.7270/Q2H41Q4H
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6


(Homo sapiens (Human))
BDBM50001585
PNG
(CHEMBL3237443 | US8841312, 57)
Show SMILES Fc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12
Show InChI InChI=1S/C23H25FN8/c24-21-20-17(7-8-26-21)18-14-28-23(30-22(18)32(20)15-3-1-2-4-15)29-19-6-5-16(13-27-19)31-11-9-25-10-12-31/h5-8,13-15,25H,1-4,9-12H2,(H,27,28,29,30)
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US Patent
n/an/a 17n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)


BindingDB Entry DOI: 10.7270/Q2H41Q4H
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50001585
PNG
(CHEMBL3237443 | US8841312, 57)
Show SMILES Fc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12
Show InChI InChI=1S/C23H25FN8/c24-21-20-17(7-8-26-21)18-14-28-23(30-22(18)32(20)15-3-1-2-4-15)29-19-6-5-16(13-27-19)31-11-9-25-10-12-31/h5-8,13-15,25H,1-4,9-12H2,(H,27,28,29,30)
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Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay


J Med Chem 57: 3430-49 (2014)


Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50001585
PNG
(CHEMBL3237443 | US8841312, 57)
Show SMILES Fc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12
Show InChI InChI=1S/C23H25FN8/c24-21-20-17(7-8-26-21)18-14-28-23(30-22(18)32(20)15-3-1-2-4-15)29-19-6-5-16(13-27-19)31-11-9-25-10-12-31/h5-8,13-15,25H,1-4,9-12H2,(H,27,28,29,30)
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n/an/a 720n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human ERG


J Med Chem 57: 3430-49 (2014)


Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50001585
PNG
(CHEMBL3237443 | US8841312, 57)
Show SMILES Fc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12
Show InChI InChI=1S/C23H25FN8/c24-21-20-17(7-8-26-21)18-14-28-23(30-22(18)32(20)15-3-1-2-4-15)29-19-6-5-16(13-27-19)31-11-9-25-10-12-31/h5-8,13-15,25H,1-4,9-12H2,(H,27,28,29,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 57: 3430-49 (2014)


Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50001585
PNG
(CHEMBL3237443 | US8841312, 57)
Show SMILES Fc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12
Show InChI InChI=1S/C23H25FN8/c24-21-20-17(7-8-26-21)18-14-28-23(30-22(18)32(20)15-3-1-2-4-15)29-19-6-5-16(13-27-19)31-11-9-25-10-12-31/h5-8,13-15,25H,1-4,9-12H2,(H,27,28,29,30)
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PubMed
n/an/a 7.56E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B (unknown origin) using histone H1 as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP


J Med Chem 57: 3430-49 (2014)


Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50001585
PNG
(CHEMBL3237443 | US8841312, 57)
Show SMILES Fc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12
Show InChI InChI=1S/C23H25FN8/c24-21-20-17(7-8-26-21)18-14-28-23(30-22(18)32(20)15-3-1-2-4-15)29-19-6-5-16(13-27-19)31-11-9-25-10-12-31/h5-8,13-15,25H,1-4,9-12H2,(H,27,28,29,30)
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n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP


J Med Chem 57: 3430-49 (2014)


Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4
More data for this
Ligand-Target Pair