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BDBM50393542 CHEMBL2158228

SMILES: NC(=O)CN1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1

InChI Key: InChIKey=WFLCXRISIXFCBZ-UHFFFAOYSA-N

Data: 6 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50393542   
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))
BDBM50393542
PNG
(CHEMBL2158228)
Show SMILES NC(=O)CN1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C24H28N6O2/c25-13-19-14-27-23(28-19)24(32)29-21-7-6-18(12-20(21)17-4-2-1-3-5-17)16-8-10-30(11-9-16)15-22(26)31/h4,6-7,12,14,16H,1-3,5,8-11,15H2,(H2,26,31)(H,27,28)(H,29,32)
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n/an/a 1.40n/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))
BDBM50393542
PNG
(CHEMBL2158228)
Show SMILES NC(=O)CN1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C24H28N6O2/c25-13-19-14-27-23(28-19)24(32)29-21-7-6-18(12-20(21)17-4-2-1-3-5-17)16-8-10-30(11-9-16)15-22(26)31/h4,6-7,12,14,16H,1-3,5,8-11,15H2,(H2,26,31)(H,27,28)(H,29,32)
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n/an/a 11n/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 3A


(Homo sapiens (Human))
BDBM50393542
PNG
(CHEMBL2158228)
Show SMILES NC(=O)CN1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C24H28N6O2/c25-13-19-14-27-23(28-19)24(32)29-21-7-6-18(12-20(21)17-4-2-1-3-5-17)16-8-10-30(11-9-16)15-22(26)31/h4,6-7,12,14,16H,1-3,5,8-11,15H2,(H2,26,31)(H,27,28)(H,29,32)
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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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50393542
PNG
(CHEMBL2158228)
Show SMILES NC(=O)CN1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C24H28N6O2/c25-13-19-14-27-23(28-19)24(32)29-21-7-6-18(12-20(21)17-4-2-1-3-5-17)16-8-10-30(11-9-16)15-22(26)31/h4,6-7,12,14,16H,1-3,5,8-11,15H2,(H2,26,31)(H,27,28)(H,29,32)
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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
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50393542
PNG
(CHEMBL2158228)
Show SMILES NC(=O)CN1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C24H28N6O2/c25-13-19-14-27-23(28-19)24(32)29-21-7-6-18(12-20(21)17-4-2-1-3-5-17)16-8-10-30(11-9-16)15-22(26)31/h4,6-7,12,14,16H,1-3,5,8-11,15H2,(H2,26,31)(H,27,28)(H,29,32)
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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 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
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50393542
PNG
(CHEMBL2158228)
Show SMILES NC(=O)CN1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C24H28N6O2/c25-13-19-14-27-23(28-19)24(32)29-21-7-6-18(12-20(21)17-4-2-1-3-5-17)16-8-10-30(11-9-16)15-22(26)31/h4,6-7,12,14,16H,1-3,5,8-11,15H2,(H2,26,31)(H,27,28)(H,29,32)
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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