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BDBM120076 CHEMBL256712::US8697716, 16

SMILES: CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1

InChI Key: InChIKey=UKGCAEYEQULSSN-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 120076   
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
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM120076
PNG
(CHEMBL256712 | US8697716, 16)
Show SMILES CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C24H27N5O2/c1-16(30)29-11-9-17(10-12-29)19-7-8-22(21(13-19)18-5-3-2-4-6-18)28-24(31)23-26-15-20(14-25)27-23/h5,7-8,13,15,17H,2-4,6,9-12H2,1H3,(H,26,27)(H,28,31)
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n/an/a 2.40n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of FMS mediated phosphorylation using SYEGNSYTFIDPTQ as substrate after 80 mins by fluorescence polarization


J Med Chem 54: 7860-83 (2011)


Article DOI: 10.1021/jm200900q
BindingDB Entry DOI: 10.7270/Q2VD70JB
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (c-Fms)


(Mus musculus (Mouse))
BDBM120076
PNG
(CHEMBL256712 | US8697716, 16)
Show SMILES CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C24H27N5O2/c1-16(30)29-11-9-17(10-12-29)19-7-8-22(21(13-19)18-5-3-2-4-6-18)28-24(31)23-26-15-20(14-25)27-23/h5,7-8,13,15,17H,2-4,6,9-12H2,1H3,(H,26,27)(H,28,31)
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n/an/a 5.60n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of FMS-mediated proliferation in CSF1-stimulated bone marrow-derived mouse macrophages assessed as inhibition of incorporation of bromodeo...


J Med Chem 54: 7860-83 (2011)


Article DOI: 10.1021/jm200900q
BindingDB Entry DOI: 10.7270/Q2VD70JB
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM120076
PNG
(CHEMBL256712 | US8697716, 16)
Show SMILES CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C24H27N5O2/c1-16(30)29-11-9-17(10-12-29)19-7-8-22(21(13-19)18-5-3-2-4-6-18)28-24(31)23-26-15-20(14-25)27-23/h5,7-8,13,15,17H,2-4,6,9-12H2,1H3,(H,26,27)(H,28,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


J Med Chem 54: 7860-83 (2011)


Article DOI: 10.1021/jm200900q
BindingDB Entry DOI: 10.7270/Q2VD70JB
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM120076
PNG
(CHEMBL256712 | US8697716, 16)
Show SMILES CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C24H27N5O2/c1-16(30)29-11-9-17(10-12-29)19-7-8-22(21(13-19)18-5-3-2-4-6-18)28-24(31)23-26-15-20(14-25)27-23/h5,7-8,13,15,17H,2-4,6,9-12H2,1H3,(H,26,27)(H,28,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 54: 7860-83 (2011)


Article DOI: 10.1021/jm200900q
BindingDB Entry DOI: 10.7270/Q2VD70JB
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM120076
PNG
(CHEMBL256712 | US8697716, 16)
Show SMILES CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C24H27N5O2/c1-16(30)29-11-9-17(10-12-29)19-7-8-22(21(13-19)18-5-3-2-4-6-18)28-24(31)23-26-15-20(14-25)27-23/h5,7-8,13,15,17H,2-4,6,9-12H2,1H3,(H,26,27)(H,28,31)
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n/an/a 2n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of FMS


Bioorg Med Chem Lett 18: 3632-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.059
BindingDB Entry DOI: 10.7270/Q2FN173T
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM120076
PNG
(CHEMBL256712 | US8697716, 16)
Show SMILES CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C24H27N5O2/c1-16(30)29-11-9-17(10-12-29)19-7-8-22(21(13-19)18-5-3-2-4-6-18)28-24(31)23-26-15-20(14-25)27-23/h5,7-8,13,15,17H,2-4,6,9-12H2,1H3,(H,26,27)(H,28,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 54: 7860-83 (2011)


Article DOI: 10.1021/jm200900q
BindingDB Entry DOI: 10.7270/Q2VD70JB
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM120076
PNG
(CHEMBL256712 | US8697716, 16)
Show SMILES CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C24H27N5O2/c1-16(30)29-11-9-17(10-12-29)19-7-8-22(21(13-19)18-5-3-2-4-6-18)28-24(31)23-26-15-20(14-25)27-23/h5,7-8,13,15,17H,2-4,6,9-12H2,1H3,(H,26,27)(H,28,31)
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n/an/a>3.20E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]astemizole from human ERG potassium channel


J Med Chem 54: 7860-83 (2011)


Article DOI: 10.1021/jm200900q
BindingDB Entry DOI: 10.7270/Q2VD70JB
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM120076
PNG
(CHEMBL256712 | US8697716, 16)
Show SMILES CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C24H27N5O2/c1-16(30)29-11-9-17(10-12-29)19-7-8-22(21(13-19)18-5-3-2-4-6-18)28-24(31)23-26-15-20(14-25)27-23/h5,7-8,13,15,17H,2-4,6,9-12H2,1H3,(H,26,27)(H,28,31)
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US Patent
n/an/a 57n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The compounds of the present invention are also specific inhibitors of c-Kit. Selection of preferred compounds of Formula I for use as c-Kit inhibito...


US Patent US8697716 (2014)


BindingDB Entry DOI: 10.7270/Q2SN07NQ
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM120076
PNG
(CHEMBL256712 | US8697716, 16)
Show SMILES CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C24H27N5O2/c1-16(30)29-11-9-17(10-12-29)19-7-8-22(21(13-19)18-5-3-2-4-6-18)28-24(31)23-26-15-20(14-25)27-23/h5,7-8,13,15,17H,2-4,6,9-12H2,1H3,(H,26,27)(H,28,31)
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n/an/a 9.20E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


J Med Chem 54: 7860-83 (2011)


Article DOI: 10.1021/jm200900q
BindingDB Entry DOI: 10.7270/Q2VD70JB
More data for this
Ligand-Target Pair