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BDBM50337383 4-(2-(4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-imidazol-1-yl)ethyl)morpholine::CHEMBL1682558

SMILES: Fc1ccc(cc1)-c1ncn(CCN2CCOCC2)c1-c1ccc2[nH]ncc2c1

InChI Key: InChIKey=RVPSPMYVDLPRIK-UHFFFAOYSA-N

Data: 8 KI

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 8 hits for monomerid = 50337383   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50337383
PNG
(4-(2-(4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-im...)
Show SMILES Fc1ccc(cc1)-c1ncn(CCN2CCOCC2)c1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C22H22FN5O/c23-19-4-1-16(2-5-19)21-22(17-3-6-20-18(13-17)14-25-26-20)28(15-24-21)8-7-27-9-11-29-12-10-27/h1-6,13-15H,7-12H2,(H,25,26)
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PubMed
17n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50337383
PNG
(4-(2-(4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-im...)
Show SMILES Fc1ccc(cc1)-c1ncn(CCN2CCOCC2)c1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C22H22FN5O/c23-19-4-1-16(2-5-19)21-22(17-3-6-20-18(13-17)14-25-26-20)28(15-24-21)8-7-27-9-11-29-12-10-27/h1-6,13-15H,7-12H2,(H,25,26)
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>1.45E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50337383
PNG
(4-(2-(4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-im...)
Show SMILES Fc1ccc(cc1)-c1ncn(CCN2CCOCC2)c1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C22H22FN5O/c23-19-4-1-16(2-5-19)21-22(17-3-6-20-18(13-17)14-25-26-20)28(15-24-21)8-7-27-9-11-29-12-10-27/h1-6,13-15H,7-12H2,(H,25,26)
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>3.75E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pak4


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50337383
PNG
(4-(2-(4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-im...)
Show SMILES Fc1ccc(cc1)-c1ncn(CCN2CCOCC2)c1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C22H22FN5O/c23-19-4-1-16(2-5-19)21-22(17-3-6-20-18(13-17)14-25-26-20)28(15-24-21)8-7-27-9-11-29-12-10-27/h1-6,13-15H,7-12H2,(H,25,26)
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>4.90E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of aurora 2


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50337383
PNG
(4-(2-(4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-im...)
Show SMILES Fc1ccc(cc1)-c1ncn(CCN2CCOCC2)c1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C22H22FN5O/c23-19-4-1-16(2-5-19)21-22(17-3-6-20-18(13-17)14-25-26-20)28(15-24-21)8-7-27-9-11-29-12-10-27/h1-6,13-15H,7-12H2,(H,25,26)
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>5.45E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50337383
PNG
(4-(2-(4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-im...)
Show SMILES Fc1ccc(cc1)-c1ncn(CCN2CCOCC2)c1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C22H22FN5O/c23-19-4-1-16(2-5-19)21-22(17-3-6-20-18(13-17)14-25-26-20)28(15-24-21)8-7-27-9-11-29-12-10-27/h1-6,13-15H,7-12H2,(H,25,26)
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>6.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50337383
PNG
(4-(2-(4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-im...)
Show SMILES Fc1ccc(cc1)-c1ncn(CCN2CCOCC2)c1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C22H22FN5O/c23-19-4-1-16(2-5-19)21-22(17-3-6-20-18(13-17)14-25-26-20)28(15-24-21)8-7-27-9-11-29-12-10-27/h1-6,13-15H,7-12H2,(H,25,26)
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>8.75E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50337383
PNG
(4-(2-(4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-im...)
Show SMILES Fc1ccc(cc1)-c1ncn(CCN2CCOCC2)c1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C22H22FN5O/c23-19-4-1-16(2-5-19)21-22(17-3-6-20-18(13-17)14-25-26-20)28(15-24-21)8-7-27-9-11-29-12-10-27/h1-6,13-15H,7-12H2,(H,25,26)
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>8.88E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 21: 1480-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.001
BindingDB Entry DOI: 10.7270/Q2C24WQD
More data for this
Ligand-Target Pair