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BDBM27809 2-{[2-({1-[3-(dimethylamino)propanoyl]-5-methoxy-2,3-dihydro-1H-indol-6-yl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-6-fluorobenzamide::pyrrolo[2,3-d]pyrimidine deriv., 32

SMILES: COc1cc2CCN(C(=O)CCN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1

InChI Key: InChIKey=QSIOQQCLBORXLE-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 27809   
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
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM27809
PNG
(2-{[2-({1-[3-(dimethylamino)propanoyl]-5-methoxy-2...)
Show SMILES COc1cc2CCN(C(=O)CCN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C27H29FN8O3/c1-35(2)11-9-22(37)36-12-8-15-13-21(39-3)19(14-20(15)36)32-27-33-25-16(7-10-30-25)26(34-27)31-18-6-4-5-17(28)23(18)24(29)38/h4-7,10,13-14H,8-9,11-12H2,1-3H3,(H2,29,38)(H3,30,31,32,33,34)
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MMDB

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Article
PubMed
n/an/a 794n/an/an/an/an/an/a



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
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27809
PNG
(2-{[2-({1-[3-(dimethylamino)propanoyl]-5-methoxy-2...)
Show SMILES COc1cc2CCN(C(=O)CCN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Show InChI InChI=1S/C27H29FN8O3/c1-35(2)11-9-22(37)36-12-8-15-13-21(39-3)19(14-20(15)36)32-27-33-25-16(7-10-30-25)26(34-27)31-18-6-4-5-17(28)23(18)24(29)38/h4-7,10,13-14H,8-9,11-12H2,1-3H3,(H2,29,38)(H3,30,31,32,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



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