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BDBM50243182 CHEMBL487431::N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide::N3-(6-aminopyridin-3-yl)-N1-(2-cyclopentylethyl)-4-methylisophthalamide

SMILES: Cc1ccc(cc1C(=O)Nc1ccc(N)nc1)C(=O)NCCC1CCCC1

InChI Key: InChIKey=CLEGTVIMOPPIBR-UHFFFAOYSA-N

Data: 7 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50243182   
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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50243182
PNG
(CHEMBL487431 | N'-(6-aminopyridin-3-yl)-N-(2-cyclo...)
Show SMILES Cc1ccc(cc1C(=O)Nc1ccc(N)nc1)C(=O)NCCC1CCCC1
Show InChI InChI=1S/C21H26N4O2/c1-14-6-7-16(20(26)23-11-10-15-4-2-3-5-15)12-18(14)21(27)25-17-8-9-19(22)24-13-17/h6-9,12-13,15H,2-5,10-11H2,1H3,(H2,22,24)(H,23,26)(H,25,27)
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PubMed
n/an/a 77n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of c-Kit (unknown origin) by TR-FRET assay


J Med Chem 51: 3065-8 (2008)


Article DOI: 10.1021/jm800188g
BindingDB Entry DOI: 10.7270/Q2DN44TT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50243182
PNG
(CHEMBL487431 | N'-(6-aminopyridin-3-yl)-N-(2-cyclo...)
Show SMILES Cc1ccc(cc1C(=O)Nc1ccc(N)nc1)C(=O)NCCC1CCCC1
Show InChI InChI=1S/C21H26N4O2/c1-14-6-7-16(20(26)23-11-10-15-4-2-3-5-15)12-18(14)21(27)25-17-8-9-19(22)24-13-17/h6-9,12-13,15H,2-5,10-11H2,1H3,(H2,22,24)(H,23,26)(H,25,27)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) by TR-FRET assay


J Med Chem 51: 3065-8 (2008)


Article DOI: 10.1021/jm800188g
BindingDB Entry DOI: 10.7270/Q2DN44TT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50243182
PNG
(CHEMBL487431 | N'-(6-aminopyridin-3-yl)-N-(2-cyclo...)
Show SMILES Cc1ccc(cc1C(=O)Nc1ccc(N)nc1)C(=O)NCCC1CCCC1
Show InChI InChI=1S/C21H26N4O2/c1-14-6-7-16(20(26)23-11-10-15-4-2-3-5-15)12-18(14)21(27)25-17-8-9-19(22)24-13-17/h6-9,12-13,15H,2-5,10-11H2,1H3,(H2,22,24)(H,23,26)(H,25,27)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of Lck (unknown origin) by TR-FRET assay


J Med Chem 51: 3065-8 (2008)


Article DOI: 10.1021/jm800188g
BindingDB Entry DOI: 10.7270/Q2DN44TT
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50243182
PNG
(CHEMBL487431 | N'-(6-aminopyridin-3-yl)-N-(2-cyclo...)
Show SMILES Cc1ccc(cc1C(=O)Nc1ccc(N)nc1)C(=O)NCCC1CCCC1
Show InChI InChI=1S/C21H26N4O2/c1-14-6-7-16(20(26)23-11-10-15-4-2-3-5-15)12-18(14)21(27)25-17-8-9-19(22)24-13-17/h6-9,12-13,15H,2-5,10-11H2,1H3,(H2,22,24)(H,23,26)(H,25,27)
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n/an/a 77n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-kit (unknown origin)


Bioorg Med Chem Lett 18: 4137-41 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.089
BindingDB Entry DOI: 10.7270/Q20001WP
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50243182
PNG
(CHEMBL487431 | N'-(6-aminopyridin-3-yl)-N-(2-cyclo...)
Show SMILES Cc1ccc(cc1C(=O)Nc1ccc(N)nc1)C(=O)NCCC1CCCC1
Show InChI InChI=1S/C21H26N4O2/c1-14-6-7-16(20(26)23-11-10-15-4-2-3-5-15)12-18(14)21(27)25-17-8-9-19(22)24-13-17/h6-9,12-13,15H,2-5,10-11H2,1H3,(H2,22,24)(H,23,26)(H,25,27)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin)


Bioorg Med Chem Lett 18: 4137-41 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.089
BindingDB Entry DOI: 10.7270/Q20001WP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50243182
PNG
(CHEMBL487431 | N'-(6-aminopyridin-3-yl)-N-(2-cyclo...)
Show SMILES Cc1ccc(cc1C(=O)Nc1ccc(N)nc1)C(=O)NCCC1CCCC1
Show InChI InChI=1S/C21H26N4O2/c1-14-6-7-16(20(26)23-11-10-15-4-2-3-5-15)12-18(14)21(27)25-17-8-9-19(22)24-13-17/h6-9,12-13,15H,2-5,10-11H2,1H3,(H2,22,24)(H,23,26)(H,25,27)
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n/an/a 998n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin)


Bioorg Med Chem Lett 18: 4137-41 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.089
BindingDB Entry DOI: 10.7270/Q20001WP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50243182
PNG
(CHEMBL487431 | N'-(6-aminopyridin-3-yl)-N-(2-cyclo...)
Show SMILES Cc1ccc(cc1C(=O)Nc1ccc(N)nc1)C(=O)NCCC1CCCC1
Show InChI InChI=1S/C21H26N4O2/c1-14-6-7-16(20(26)23-11-10-15-4-2-3-5-15)12-18(14)21(27)25-17-8-9-19(22)24-13-17/h6-9,12-13,15H,2-5,10-11H2,1H3,(H2,22,24)(H,23,26)(H,25,27)
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PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of Src (unknown origin) by TR-FRET assay


J Med Chem 51: 3065-8 (2008)


Article DOI: 10.1021/jm800188g
BindingDB Entry DOI: 10.7270/Q2DN44TT
More data for this
Ligand-Target Pair