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BDBM50317750 2-(4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluorophenylamino)-N-(2,4-difluorophenyl)nicotinamide::CHEMBL1095873

SMILES: Fc1ccc(NC(=O)c2cccnc2Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c(F)c1

InChI Key: InChIKey=ZXWBEPIEIMDBRM-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50317750   
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
Insulin receptor


(Homo sapiens (Human))
BDBM50317750
PNG
(2-(4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluoroph...)
Show SMILES Fc1ccc(NC(=O)c2cccnc2Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c(F)c1
Show InChI InChI=1S/C25H16F3N5O2/c26-14-3-5-20(18(27)12-14)33-25(34)17-2-1-9-29-24(17)32-15-4-6-22(19(28)13-15)35-21-8-11-31-23-16(21)7-10-30-23/h1-13H,(H,29,32)(H,30,31)(H,33,34)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of InsR


Bioorg Med Chem Lett 20: 2998-3002 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.042
BindingDB Entry DOI: 10.7270/Q2PN95TM
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50317750
PNG
(2-(4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluoroph...)
Show SMILES Fc1ccc(NC(=O)c2cccnc2Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c(F)c1
Show InChI InChI=1S/C25H16F3N5O2/c26-14-3-5-20(18(27)12-14)33-25(34)17-2-1-9-29-24(17)32-15-4-6-22(19(28)13-15)35-21-8-11-31-23-16(21)7-10-30-23/h1-13H,(H,29,32)(H,30,31)(H,33,34)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PKCalpha


Bioorg Med Chem Lett 20: 2998-3002 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.042
BindingDB Entry DOI: 10.7270/Q2PN95TM
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50317750
PNG
(2-(4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluoroph...)
Show SMILES Fc1ccc(NC(=O)c2cccnc2Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c(F)c1
Show InChI InChI=1S/C25H16F3N5O2/c26-14-3-5-20(18(27)12-14)33-25(34)17-2-1-9-29-24(17)32-15-4-6-22(19(28)13-15)35-21-8-11-31-23-16(21)7-10-30-23/h1-13H,(H,29,32)(H,30,31)(H,33,34)
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant c-met N terminal domain expressed in Hi5 insect cells after 60 mins by liquid scintillation counting


Bioorg Med Chem Lett 20: 2998-3002 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.042
BindingDB Entry DOI: 10.7270/Q2PN95TM
More data for this
Ligand-Target Pair
High affinity immunoglobulin gamma Fc receptor I


(Homo sapiens (Human))
BDBM50317750
PNG
(2-(4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluoroph...)
Show SMILES Fc1ccc(NC(=O)c2cccnc2Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c(F)c1
Show InChI InChI=1S/C25H16F3N5O2/c26-14-3-5-20(18(27)12-14)33-25(34)17-2-1-9-29-24(17)32-15-4-6-22(19(28)13-15)35-21-8-11-31-23-16(21)7-10-30-23/h1-13H,(H,29,32)(H,30,31)(H,33,34)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IGFR1


Bioorg Med Chem Lett 20: 2998-3002 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.042
BindingDB Entry DOI: 10.7270/Q2PN95TM
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50317750
PNG
(2-(4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluoroph...)
Show SMILES Fc1ccc(NC(=O)c2cccnc2Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c(F)c1
Show InChI InChI=1S/C25H16F3N5O2/c26-14-3-5-20(18(27)12-14)33-25(34)17-2-1-9-29-24(17)32-15-4-6-22(19(28)13-15)35-21-8-11-31-23-16(21)7-10-30-23/h1-13H,(H,29,32)(H,30,31)(H,33,34)
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n/an/a 350n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of TrkA


Bioorg Med Chem Lett 20: 2998-3002 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.042
BindingDB Entry DOI: 10.7270/Q2PN95TM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50317750
PNG
(2-(4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluoroph...)
Show SMILES Fc1ccc(NC(=O)c2cccnc2Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c(F)c1
Show InChI InChI=1S/C25H16F3N5O2/c26-14-3-5-20(18(27)12-14)33-25(34)17-2-1-9-29-24(17)32-15-4-6-22(19(28)13-15)35-21-8-11-31-23-16(21)7-10-30-23/h1-13H,(H,29,32)(H,30,31)(H,33,34)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LcK


Bioorg Med Chem Lett 20: 2998-3002 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.042
BindingDB Entry DOI: 10.7270/Q2PN95TM
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50317750
PNG
(2-(4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluoroph...)
Show SMILES Fc1ccc(NC(=O)c2cccnc2Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c(F)c1
Show InChI InChI=1S/C25H16F3N5O2/c26-14-3-5-20(18(27)12-14)33-25(34)17-2-1-9-29-24(17)32-15-4-6-22(19(28)13-15)35-21-8-11-31-23-16(21)7-10-30-23/h1-13H,(H,29,32)(H,30,31)(H,33,34)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 20: 2998-3002 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.042
BindingDB Entry DOI: 10.7270/Q2PN95TM
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50317750
PNG
(2-(4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluoroph...)
Show SMILES Fc1ccc(NC(=O)c2cccnc2Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c(F)c1
Show InChI InChI=1S/C25H16F3N5O2/c26-14-3-5-20(18(27)12-14)33-25(34)17-2-1-9-29-24(17)32-15-4-6-22(19(28)13-15)35-21-8-11-31-23-16(21)7-10-30-23/h1-13H,(H,29,32)(H,30,31)(H,33,34)
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Article
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n/an/a 120n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of FLT3


Bioorg Med Chem Lett 20: 2998-3002 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.042
BindingDB Entry DOI: 10.7270/Q2PN95TM
More data for this
Ligand-Target Pair