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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Insulin-like growth factor I receptor' and Ligand = 'BDBM27839'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM27839
PNG
(4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine, 25 | ...)
Show SMILES COc1cc(ccc1Nc1nc(Nc2ccc(F)cc2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C27H31FN8O2/c1-16(2)35-10-12-36(13-11-35)18-5-7-22(23(15-18)38-3)32-27-33-25-19(8-9-30-25)26(34-27)31-21-6-4-17(28)14-20(21)24(29)37/h4-9,14-16H,10-13H2,1-3H3,(H2,29,37)(H3,30,31,32,33,34)
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n/an/a 0.800n/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
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27839
PNG
(4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine, 25 | ...)
Show SMILES COc1cc(ccc1Nc1nc(Nc2ccc(F)cc2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C27H31FN8O2/c1-16(2)35-10-12-36(13-11-35)18-5-7-22(23(15-18)38-3)32-27-33-25-19(8-9-30-25)26(34-27)31-21-6-4-17(28)14-20(21)24(29)37/h4-9,14-16H,10-13H2,1-3H3,(H2,29,37)(H3,30,31,32,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 19: 373-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.065
BindingDB Entry DOI: 10.7270/Q2F190PC
More data for this
Ligand-Target Pair