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BDBM50211423 4-(4-(1H-indol-1-yl)pyrimidin-2-ylamino)-N-ethylpiperidine-1-carboxamide::CHEMBL392613

SMILES: CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-n1ccc2ccccc12

InChI Key: InChIKey=JTBIKPSVKQZGLW-UHFFFAOYSA-N

Data: 4 IC50

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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 = 50211423   
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 AP-1


(Homo sapiens (Human))
BDBM50211423
PNG
(4-(4-(1H-indol-1-yl)pyrimidin-2-ylamino)-N-ethylpi...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-n1ccc2ccccc12
Show InChI InChI=1S/C20H24N6O/c1-2-21-20(27)25-12-9-16(10-13-25)23-19-22-11-7-18(24-19)26-14-8-15-5-3-4-6-17(15)26/h3-8,11,14,16H,2,9-10,12-13H2,1H3,(H,21,27)(H,22,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.99E+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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50211423
PNG
(4-(4-(1H-indol-1-yl)pyrimidin-2-ylamino)-N-ethylpi...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-n1ccc2ccccc12
Show InChI InChI=1S/C20H24N6O/c1-2-21-20(27)25-12-9-16(10-13-25)23-19-22-11-7-18(24-19)26-14-8-15-5-3-4-6-17(15)26/h3-8,11,14,16H,2,9-10,12-13H2,1H3,(H,21,27)(H,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 71n/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
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50211423
PNG
(4-(4-(1H-indol-1-yl)pyrimidin-2-ylamino)-N-ethylpi...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-n1ccc2ccccc12
Show InChI InChI=1S/C20H24N6O/c1-2-21-20(27)25-12-9-16(10-13-25)23-19-22-11-7-18(24-19)26-14-8-15-5-3-4-6-17(15)26/h3-8,11,14,16H,2,9-10,12-13H2,1H3,(H,21,27)(H,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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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 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 9


(Homo sapiens (human))
BDBM50211423
PNG
(4-(4-(1H-indol-1-yl)pyrimidin-2-ylamino)-N-ethylpi...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-n1ccc2ccccc12
Show InChI InChI=1S/C20H24N6O/c1-2-21-20(27)25-12-9-16(10-13-25)23-19-22-11-7-18(24-19)26-14-8-15-5-3-4-6-17(15)26/h3-8,11,14,16H,2,9-10,12-13H2,1H3,(H,21,27)(H,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 512n/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