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BDBM50337385 5-(1-(1-benzylpyrrolidin-3-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)-1H-indazole::CHEMBL1682560

SMILES: Fc1ccc(cc1)-c1ncn(C2CCN(Cc3ccccc3)C2)c1-c1ccc2[nH]ncc2c1

InChI Key: InChIKey=PJNPAVYZHHPABL-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 = 50337385   
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))
BDBM50337385
PNG
(5-(1-(1-benzylpyrrolidin-3-yl)-4-(4-fluorophenyl)-...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(Cc3ccccc3)C2)c1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H24FN5/c28-23-9-6-20(7-10-23)26-27(21-8-11-25-22(14-21)15-30-31-25)33(18-29-26)24-12-13-32(17-24)16-19-4-2-1-3-5-19/h1-11,14-15,18,24H,12-13,16-17H2,(H,30,31)
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8n/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))
BDBM50337385
PNG
(5-(1-(1-benzylpyrrolidin-3-yl)-4-(4-fluorophenyl)-...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(Cc3ccccc3)C2)c1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H24FN5/c28-23-9-6-20(7-10-23)26-27(21-8-11-25-22(14-21)15-30-31-25)33(18-29-26)24-12-13-32(17-24)16-19-4-2-1-3-5-19/h1-11,14-15,18,24H,12-13,16-17H2,(H,30,31)
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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))
BDBM50337385
PNG
(5-(1-(1-benzylpyrrolidin-3-yl)-4-(4-fluorophenyl)-...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(Cc3ccccc3)C2)c1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H24FN5/c28-23-9-6-20(7-10-23)26-27(21-8-11-25-22(14-21)15-30-31-25)33(18-29-26)24-12-13-32(17-24)16-19-4-2-1-3-5-19/h1-11,14-15,18,24H,12-13,16-17H2,(H,30,31)
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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))
BDBM50337385
PNG
(5-(1-(1-benzylpyrrolidin-3-yl)-4-(4-fluorophenyl)-...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(Cc3ccccc3)C2)c1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H24FN5/c28-23-9-6-20(7-10-23)26-27(21-8-11-25-22(14-21)15-30-31-25)33(18-29-26)24-12-13-32(17-24)16-19-4-2-1-3-5-19/h1-11,14-15,18,24H,12-13,16-17H2,(H,30,31)
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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))
BDBM50337385
PNG
(5-(1-(1-benzylpyrrolidin-3-yl)-4-(4-fluorophenyl)-...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(Cc3ccccc3)C2)c1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H24FN5/c28-23-9-6-20(7-10-23)26-27(21-8-11-25-22(14-21)15-30-31-25)33(18-29-26)24-12-13-32(17-24)16-19-4-2-1-3-5-19/h1-11,14-15,18,24H,12-13,16-17H2,(H,30,31)
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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))
BDBM50337385
PNG
(5-(1-(1-benzylpyrrolidin-3-yl)-4-(4-fluorophenyl)-...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(Cc3ccccc3)C2)c1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H24FN5/c28-23-9-6-20(7-10-23)26-27(21-8-11-25-22(14-21)15-30-31-25)33(18-29-26)24-12-13-32(17-24)16-19-4-2-1-3-5-19/h1-11,14-15,18,24H,12-13,16-17H2,(H,30,31)
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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


(Homo sapiens (Human))
BDBM50337385
PNG
(5-(1-(1-benzylpyrrolidin-3-yl)-4-(4-fluorophenyl)-...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(Cc3ccccc3)C2)c1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H24FN5/c28-23-9-6-20(7-10-23)26-27(21-8-11-25-22(14-21)15-30-31-25)33(18-29-26)24-12-13-32(17-24)16-19-4-2-1-3-5-19/h1-11,14-15,18,24H,12-13,16-17H2,(H,30,31)
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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))
BDBM50337385
PNG
(5-(1-(1-benzylpyrrolidin-3-yl)-4-(4-fluorophenyl)-...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCN(Cc3ccccc3)C2)c1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H24FN5/c28-23-9-6-20(7-10-23)26-27(21-8-11-25-22(14-21)15-30-31-25)33(18-29-26)24-12-13-32(17-24)16-19-4-2-1-3-5-19/h1-11,14-15,18,24H,12-13,16-17H2,(H,30,31)
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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