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BDBM50393549 CHEMBL2158289

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

InChI Key: InChIKey=JJZWAMOLUCACLS-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 = 50393549   
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 receptor


(Homo sapiens (Human))
BDBM50393549
PNG
(CHEMBL2158289)
Show SMILES CN(CCO)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:33|
Show InChI InChI=1S/C27H34N6O3/c1-32(13-14-34)18-25(35)33-11-9-19(10-12-33)21-7-8-24(23(15-21)20-5-3-2-4-6-20)31-27(36)26-29-17-22(16-28)30-26/h5,7-8,15,17,19,34H,2-4,6,9-14,18H2,1H3,(H,29,30)(H,31,36)
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Article
PubMed
n/an/a 1n/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))
BDBM50393549
PNG
(CHEMBL2158289)
Show SMILES CN(CCO)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:33|
Show InChI InChI=1S/C27H34N6O3/c1-32(13-14-34)18-25(35)33-11-9-19(10-12-33)21-7-8-24(23(15-21)20-5-3-2-4-6-20)31-27(36)26-29-17-22(16-28)30-26/h5,7-8,15,17,19,34H,2-4,6,9-14,18H2,1H3,(H,29,30)(H,31,36)
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UniProtKB/TrEMBL

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Article
PubMed
n/an/a 0.640n/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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50393549
PNG
(CHEMBL2158289)
Show SMILES CN(CCO)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:33|
Show InChI InChI=1S/C27H34N6O3/c1-32(13-14-34)18-25(35)33-11-9-19(10-12-33)21-7-8-24(23(15-21)20-5-3-2-4-6-20)31-27(36)26-29-17-22(16-28)30-26/h5,7-8,15,17,19,34H,2-4,6,9-14,18H2,1H3,(H,29,30)(H,31,36)
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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
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
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50393549
PNG
(CHEMBL2158289)
Show SMILES CN(CCO)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:33|
Show InChI InChI=1S/C27H34N6O3/c1-32(13-14-34)18-25(35)33-11-9-19(10-12-33)21-7-8-24(23(15-21)20-5-3-2-4-6-20)31-27(36)26-29-17-22(16-28)30-26/h5,7-8,15,17,19,34H,2-4,6,9-14,18H2,1H3,(H,29,30)(H,31,36)
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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 3A4


(Homo sapiens (Human))
BDBM50393549
PNG
(CHEMBL2158289)
Show SMILES CN(CCO)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:33|
Show InChI InChI=1S/C27H34N6O3/c1-32(13-14-34)18-25(35)33-11-9-19(10-12-33)21-7-8-24(23(15-21)20-5-3-2-4-6-20)31-27(36)26-29-17-22(16-28)30-26/h5,7-8,15,17,19,34H,2-4,6,9-14,18H2,1H3,(H,29,30)(H,31,36)
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n/an/a 6.70E+3n/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 1A


(Homo sapiens (Human))
BDBM50393549
PNG
(CHEMBL2158289)
Show SMILES CN(CCO)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:33|
Show InChI InChI=1S/C27H34N6O3/c1-32(13-14-34)18-25(35)33-11-9-19(10-12-33)21-7-8-24(23(15-21)20-5-3-2-4-6-20)31-27(36)26-29-17-22(16-28)30-26/h5,7-8,15,17,19,34H,2-4,6,9-14,18H2,1H3,(H,29,30)(H,31,36)
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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