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SMILES: CN1CCN(CC1)C(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12

InChI Key: InChIKey=FBMRMTHKZVMVDV-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 = 50211429   
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
Transcription factor Jun


(Homo sapiens (Human))
BDBM50211429
PNG
((4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)...)
Show SMILES CN1CCN(CC1)C(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C23H28ClN7O/c1-29-10-12-31(13-11-29)23(32)30-8-6-16(7-9-30)27-22-26-15-19(24)21(28-22)18-14-25-20-5-3-2-4-17(18)20/h2-5,14-16,25H,6-13H2,1H3,(H,26,27,28)
PDB

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Article
PubMed
n/an/a 2.77E+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))
BDBM50211429
PNG
((4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)...)
Show SMILES CN1CCN(CC1)C(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C23H28ClN7O/c1-29-10-12-31(13-11-29)23(32)30-8-6-16(7-9-30)27-22-26-15-19(24)21(28-22)18-14-25-20-5-3-2-4-17(18)20/h2-5,14-16,25H,6-13H2,1H3,(H,26,27,28)
PDB
MMDB

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KEGG

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Article
PubMed
n/an/a 5.28E+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 8


(Homo sapiens (Human))
BDBM50211429
PNG
((4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)...)
Show SMILES CN1CCN(CC1)C(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C23H28ClN7O/c1-29-10-12-31(13-11-29)23(32)30-8-6-16(7-9-30)27-22-26-15-19(24)21(28-22)18-14-25-20-5-3-2-4-17(18)20/h2-5,14-16,25H,6-13H2,1H3,(H,26,27,28)
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KEGG

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Article
PubMed
n/an/a 18n/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 9


(Homo sapiens (Human))
BDBM50211429
PNG
((4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)...)
Show SMILES CN1CCN(CC1)C(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C23H28ClN7O/c1-29-10-12-31(13-11-29)23(32)30-8-6-16(7-9-30)27-22-26-15-19(24)21(28-22)18-14-25-20-5-3-2-4-17(18)20/h2-5,14-16,25H,6-13H2,1H3,(H,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a 26n/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