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BDBM50260229 4-(4-(4-fluorophenyl)-2-(4-methylcyclohexyl)-1H-imidazol-5-yl)pyridine::CHEMBL523938

SMILES: CC1CCC(CC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

InChI Key: InChIKey=RDGQRZYRTFWBJR-UHFFFAOYSA-N

Data: 6 IC50

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 6 hits for monomerid = 50260229   
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
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50260229
PNG
(4-(4-(4-fluorophenyl)-2-(4-methylcyclohexyl)-1H-im...)
Show SMILES CC1CCC(CC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H22FN3/c1-14-2-4-17(5-3-14)21-24-19(15-6-8-18(22)9-7-15)20(25-21)16-10-12-23-13-11-16/h6-14,17H,2-5H2,1H3,(H,24,25)
PDB

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B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare "P. Angeletti

Curated by ChEMBL


Assay Description
Inhibition of human CKIdelta


J Biol Chem 282: 5536-44 (2007)


Article DOI: 10.1074/jbc.M610486200
BindingDB Entry DOI: 10.7270/Q2M32VJH
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha (CK1 Alpha)


(Homo sapiens (human))
BDBM50260229
PNG
(4-(4-(4-fluorophenyl)-2-(4-methylcyclohexyl)-1H-im...)
Show SMILES CC1CCC(CC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H22FN3/c1-14-2-4-17(5-3-14)21-24-19(15-6-8-18(22)9-7-15)20(25-21)16-10-12-23-13-11-16/h6-14,17H,2-5H2,1H3,(H,24,25)
PDB

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UniChem

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Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare "P. Angeletti

Curated by ChEMBL


Assay Description
Inhibition of human CKIalpha


J Biol Chem 282: 5536-44 (2007)


Article DOI: 10.1074/jbc.M610486200
BindingDB Entry DOI: 10.7270/Q2M32VJH
More data for this
Ligand-Target Pair
Casein Kinase II


(Homo sapiens (human))
BDBM50260229
PNG
(4-(4-(4-fluorophenyl)-2-(4-methylcyclohexyl)-1H-im...)
Show SMILES CC1CCC(CC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H22FN3/c1-14-2-4-17(5-3-14)21-24-19(15-6-8-18(22)9-7-15)20(25-21)16-10-12-23-13-11-16/h6-14,17H,2-5H2,1H3,(H,24,25)
PDB

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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare "P. Angeletti

Curated by ChEMBL


Assay Description
Inhibition of human CK2


J Biol Chem 282: 5536-44 (2007)


Article DOI: 10.1074/jbc.M610486200
BindingDB Entry DOI: 10.7270/Q2M32VJH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50260229
PNG
(4-(4-(4-fluorophenyl)-2-(4-methylcyclohexyl)-1H-im...)
Show SMILES CC1CCC(CC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H22FN3/c1-14-2-4-17(5-3-14)21-24-19(15-6-8-18(22)9-7-15)20(25-21)16-10-12-23-13-11-16/h6-14,17H,2-5H2,1H3,(H,24,25)
PDB
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n/an/a 1.66E+5n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare "P. Angeletti

Curated by ChEMBL


Assay Description
Inhibition of human JNK2


J Biol Chem 282: 5536-44 (2007)


Article DOI: 10.1074/jbc.M610486200
BindingDB Entry DOI: 10.7270/Q2M32VJH
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (human))
BDBM50260229
PNG
(4-(4-(4-fluorophenyl)-2-(4-methylcyclohexyl)-1H-im...)
Show SMILES CC1CCC(CC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H22FN3/c1-14-2-4-17(5-3-14)21-24-19(15-6-8-18(22)9-7-15)20(25-21)16-10-12-23-13-11-16/h6-14,17H,2-5H2,1H3,(H,24,25)
PDB
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PC sid
UniChem

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Article
PubMed
n/an/a 3.90E+4n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare "P. Angeletti

Curated by ChEMBL


Assay Description
Inhibition of human RSK2


J Biol Chem 282: 5536-44 (2007)


Article DOI: 10.1074/jbc.M610486200
BindingDB Entry DOI: 10.7270/Q2M32VJH
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50260229
PNG
(4-(4-(4-fluorophenyl)-2-(4-methylcyclohexyl)-1H-im...)
Show SMILES CC1CCC(CC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H22FN3/c1-14-2-4-17(5-3-14)21-24-19(15-6-8-18(22)9-7-15)20(25-21)16-10-12-23-13-11-16/h6-14,17H,2-5H2,1H3,(H,24,25)
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 1.75E+5n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare "P. Angeletti

Curated by ChEMBL


Assay Description
Inhibition of human JNK1


J Biol Chem 282: 5536-44 (2007)


Article DOI: 10.1074/jbc.M610486200
BindingDB Entry DOI: 10.7270/Q2M32VJH
More data for this
Ligand-Target Pair