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BDBM50211437 3-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)-N-ethylpyrrolidine-1-carboxamide::CHEMBL246544

SMILES: CCNC(=O)N1CCC(C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12

InChI Key: InChIKey=WUFVFWHZRSJNAV-UHFFFAOYSA-N

Data: 5 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50211437   
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
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50211437
PNG
(3-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)-...)
Show SMILES CCNC(=O)N1CCC(C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |w:8.10|
Show InChI InChI=1S/C19H21ClN6O/c1-2-21-19(27)26-8-7-12(11-26)24-18-23-10-15(20)17(25-18)14-9-22-16-6-4-3-5-13(14)16/h3-6,9-10,12,22H,2,7-8,11H2,1H3,(H,21,27)(H,23,24,25)
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PubMed
n/an/a 177n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50211437
PNG
(3-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)-...)
Show SMILES CCNC(=O)N1CCC(C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |w:8.10|
Show InChI InChI=1S/C19H21ClN6O/c1-2-21-19(27)26-8-7-12(11-26)24-18-23-10-15(20)17(25-18)14-9-22-16-6-4-3-5-13(14)16/h3-6,9-10,12,22H,2,7-8,11H2,1H3,(H,21,27)(H,23,24,25)
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n/an/a 360n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50211437
PNG
(3-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)-...)
Show SMILES CCNC(=O)N1CCC(C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |w:8.10|
Show InChI InChI=1S/C19H21ClN6O/c1-2-21-19(27)26-8-7-12(11-26)24-18-23-10-15(20)17(25-18)14-9-22-16-6-4-3-5-13(14)16/h3-6,9-10,12,22H,2,7-8,11H2,1H3,(H,21,27)(H,23,24,25)
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n/an/a 6.27E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of cJun translocation in IL1beta-stimulated A549 cells


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50211437
PNG
(3-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)-...)
Show SMILES CCNC(=O)N1CCC(C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |w:8.10|
Show InChI InChI=1S/C19H21ClN6O/c1-2-21-19(27)26-8-7-12(11-26)24-18-23-10-15(20)17(25-18)14-9-22-16-6-4-3-5-13(14)16/h3-6,9-10,12,22H,2,7-8,11H2,1H3,(H,21,27)(H,23,24,25)
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n/an/a 2.48E+3n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by IMAP technology


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50211437
PNG
(3-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)-...)
Show SMILES CCNC(=O)N1CCC(C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |w:8.10|
Show InChI InChI=1S/C19H21ClN6O/c1-2-21-19(27)26-8-7-12(11-26)24-18-23-10-15(20)17(25-18)14-9-22-16-6-4-3-5-13(14)16/h3-6,9-10,12,22H,2,7-8,11H2,1H3,(H,21,27)(H,23,24,25)
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Article
PubMed
n/an/a 582n/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 17: 3463-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W
More data for this
Ligand-Target Pair