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BDBM50393557 CHEMBL2158297

SMILES: O=C(Cc1ccncc1)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1

InChI Key: InChIKey=ZSVFWIDDNJEWEB-UHFFFAOYSA-N

Data: 7 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50393557   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Macrophage colony-stimulating factor 1 receptor (CSF1R)


(Homo sapiens (Human))
BDBM50393557
PNG
(CHEMBL2158297)
Show SMILES O=C(Cc1ccncc1)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C29H30N6O2/c30-18-24-19-32-28(33-24)29(37)34-26-7-6-23(17-25(26)22-4-2-1-3-5-22)21-10-14-35(15-11-21)27(36)16-20-8-12-31-13-9-20/h4,6-9,12-13,17,19,21H,1-3,5,10-11,14-16H2,(H,32,33)(H,34,37)
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n/an/a 1.30n/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))
BDBM50393557
PNG
(CHEMBL2158297)
Show SMILES O=C(Cc1ccncc1)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C29H30N6O2/c30-18-24-19-32-28(33-24)29(37)34-26-7-6-23(17-25(26)22-4-2-1-3-5-22)21-10-14-35(15-11-21)27(36)16-20-8-12-31-13-9-20/h4,6-9,12-13,17,19,21H,1-3,5,10-11,14-16H2,(H,32,33)(H,34,37)
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n/an/a 4.70n/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))
BDBM50393557
PNG
(CHEMBL2158297)
Show SMILES O=C(Cc1ccncc1)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C29H30N6O2/c30-18-24-19-32-28(33-24)29(37)34-26-7-6-23(17-25(26)22-4-2-1-3-5-22)21-10-14-35(15-11-21)27(36)16-20-8-12-31-13-9-20/h4,6-9,12-13,17,19,21H,1-3,5,10-11,14-16H2,(H,32,33)(H,34,37)
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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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50393557
PNG
(CHEMBL2158297)
Show SMILES O=C(Cc1ccncc1)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C29H30N6O2/c30-18-24-19-32-28(33-24)29(37)34-26-7-6-23(17-25(26)22-4-2-1-3-5-22)21-10-14-35(15-11-21)27(36)16-20-8-12-31-13-9-20/h4,6-9,12-13,17,19,21H,1-3,5,10-11,14-16H2,(H,32,33)(H,34,37)
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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
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50393557
PNG
(CHEMBL2158297)
Show SMILES O=C(Cc1ccncc1)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C29H30N6O2/c30-18-24-19-32-28(33-24)29(37)34-26-7-6-23(17-25(26)22-4-2-1-3-5-22)21-10-14-35(15-11-21)27(36)16-20-8-12-31-13-9-20/h4,6-9,12-13,17,19,21H,1-3,5,10-11,14-16H2,(H,32,33)(H,34,37)
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n/an/a 2.90E+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
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50393557
PNG
(CHEMBL2158297)
Show SMILES O=C(Cc1ccncc1)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C29H30N6O2/c30-18-24-19-32-28(33-24)29(37)34-26-7-6-23(17-25(26)22-4-2-1-3-5-22)21-10-14-35(15-11-21)27(36)16-20-8-12-31-13-9-20/h4,6-9,12-13,17,19,21H,1-3,5,10-11,14-16H2,(H,32,33)(H,34,37)
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n/an/a 1.00E+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 2C9


(Homo sapiens (Human))
BDBM50393557
PNG
(CHEMBL2158297)
Show SMILES O=C(Cc1ccncc1)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1
Show InChI InChI=1S/C29H30N6O2/c30-18-24-19-32-28(33-24)29(37)34-26-7-6-23(17-25(26)22-4-2-1-3-5-22)21-10-14-35(15-11-21)27(36)16-20-8-12-31-13-9-20/h4,6-9,12-13,17,19,21H,1-3,5,10-11,14-16H2,(H,32,33)(H,34,37)
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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