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BDBM27785 2-fluoro-6-{[2-({2-methoxy-4-methyl-5-[4-(propan-2-yl)piperazin-1-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide::BMCL19469 Compound 23::pyrrolo[2,3-d]pyrimidine deriv., 3

SMILES: COc1cc(C)c(cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C

InChI Key: InChIKey=FUOIPYSAZWJAPO-UHFFFAOYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 27785   
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-like growth factor I receptor


(Homo sapiens (Human))
BDBM27785
PNG
(2-fluoro-6-{[2-({2-methoxy-4-methyl-5-[4-(propan-2...)
Show SMILES COc1cc(C)c(cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C28H33FN8O2/c1-16(2)36-10-12-37(13-11-36)22-15-21(23(39-4)14-17(22)3)33-28-34-26-18(8-9-31-26)27(35-28)32-20-7-5-6-19(29)24(20)25(30)38/h5-9,14-16H,10-13H2,1-4H3,(H2,30,38)(H3,31,32,33,34,35)
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n/an/a 20n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27785
PNG
(2-fluoro-6-{[2-({2-methoxy-4-methyl-5-[4-(propan-2...)
Show SMILES COc1cc(C)c(cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C28H33FN8O2/c1-16(2)36-10-12-37(13-11-36)22-15-21(23(39-4)14-17(22)3)33-28-34-26-18(8-9-31-26)27(35-28)32-20-7-5-6-19(29)24(20)25(30)38/h5-9,14-16H,10-13H2,1-4H3,(H2,30,38)(H3,31,32,33,34,35)
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n/an/a 20n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 469-73 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.046
BindingDB Entry DOI: 10.7270/Q2J67F88
More data for this
Ligand-Target Pair
Mitogen-Activated Protein Kinase 10 (JNK3)


(Homo sapiens (Human))
BDBM27785
PNG
(2-fluoro-6-{[2-({2-methoxy-4-methyl-5-[4-(propan-2...)
Show SMILES COc1cc(C)c(cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C28H33FN8O2/c1-16(2)36-10-12-37(13-11-36)22-15-21(23(39-4)14-17(22)3)33-28-34-26-18(8-9-31-26)27(35-28)32-20-7-5-6-19(29)24(20)25(30)38/h5-9,14-16H,10-13H2,1-4H3,(H2,30,38)(H3,31,32,33,34,35)
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n/an/a 6.31E+3n/an/an/an/a7.522



GSK



Assay Description
Inhibitor binding to JNK3 was assessed by a fluorescence anisotropy competitive binding assay. The reaction mixture (JNK3 and fluorescently labelled ...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM27785
PNG
(2-fluoro-6-{[2-({2-methoxy-4-methyl-5-[4-(propan-2...)
Show SMILES COc1cc(C)c(cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C28H33FN8O2/c1-16(2)36-10-12-37(13-11-36)22-15-21(23(39-4)14-17(22)3)33-28-34-26-18(8-9-31-26)27(35-28)32-20-7-5-6-19(29)24(20)25(30)38/h5-9,14-16H,10-13H2,1-4H3,(H2,30,38)(H3,31,32,33,34,35)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.89E+3n/an/an/an/a7.422



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing substrate GST-biotin-C-JUN, ATP, and purified activated JNK1alpha1 i...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair