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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 = 'BDBM50265844'   
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))
BDBM50265844
PNG
(3-(2-(4-(4-isopropylpiperazin-1-yl)-2-methoxypheny...)
Show SMILES COc1cc(ccc1Nc1nc(Nc2ccsc2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C25H30N8O2S/c1-15(2)32-9-11-33(12-10-32)16-4-5-18(20(14-16)35-3)29-25-30-23-17(6-8-27-23)24(31-25)28-19-7-13-36-21(19)22(26)34/h4-8,13-15H,9-12H2,1-3H3,(H2,26,34)(H3,27,28,29,30,31)
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PC cid
PC sid
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Article
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n/an/a 1.60n/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
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50265844
PNG
(3-(2-(4-(4-isopropylpiperazin-1-yl)-2-methoxypheny...)
Show SMILES COc1cc(ccc1Nc1nc(Nc2ccsc2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C25H30N8O2S/c1-15(2)32-9-11-33(12-10-32)16-4-5-18(20(14-16)35-3)29-25-30-23-17(6-8-27-23)24(31-25)28-19-7-13-36-21(19)22(26)34/h4-8,13-15H,9-12H2,1-3H3,(H2,26,34)(H3,27,28,29,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 106n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of IGF1R phosphorylation by cellular assay


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