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SMILES: CCNC(=O)N1CCC(CC1)Nc1ncc(C)c(n1)-c1c[nH]c2ccccc12

InChI Key: InChIKey=UGZLJUFPCPHHSW-UHFFFAOYSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50211445   
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))
BDBM50211445
PNG
(4-(4-(1H-indol-3-yl)-5-methylpyrimidin-2-ylamino)-...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1ncc(C)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H26N6O/c1-3-22-21(28)27-10-8-15(9-11-27)25-20-24-12-14(2)19(26-20)17-13-23-18-7-5-4-6-16(17)18/h4-7,12-13,15,23H,3,8-11H2,1-2H3,(H,22,28)(H,24,25,26)
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n/an/a 250n/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))
BDBM50211445
PNG
(4-(4-(1H-indol-3-yl)-5-methylpyrimidin-2-ylamino)-...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1ncc(C)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H26N6O/c1-3-22-21(28)27-10-8-15(9-11-27)25-20-24-12-14(2)19(26-20)17-13-23-18-7-5-4-6-16(17)18/h4-7,12-13,15,23H,3,8-11H2,1-2H3,(H,22,28)(H,24,25,26)
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n/an/a 320n/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
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50211445
PNG
(4-(4-(1H-indol-3-yl)-5-methylpyrimidin-2-ylamino)-...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1ncc(C)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H26N6O/c1-3-22-21(28)27-10-8-15(9-11-27)25-20-24-12-14(2)19(26-20)17-13-23-18-7-5-4-6-16(17)18/h4-7,12-13,15,23H,3,8-11H2,1-2H3,(H,22,28)(H,24,25,26)
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PubMed
n/an/a 410n/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
Transcription factor Jun


(Homo sapiens (Human))
BDBM50211445
PNG
(4-(4-(1H-indol-3-yl)-5-methylpyrimidin-2-ylamino)-...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1ncc(C)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H26N6O/c1-3-22-21(28)27-10-8-15(9-11-27)25-20-24-12-14(2)19(26-20)17-13-23-18-7-5-4-6-16(17)18/h4-7,12-13,15,23H,3,8-11H2,1-2H3,(H,22,28)(H,24,25,26)
PDB

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antibodypedia
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Article
PubMed
n/an/a 1.00E+4n/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