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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 = 'BDBM50156375'   
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))
BDBM50156375
PNG
(CHEMBL3785995)
Show SMILES Nc1ncnc2n(cc(-c3ccc(F)c(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CN2CC[S+]([O-])CC2)C1 |r,wD:26.30,28.33,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.56,;3.84,6.7,;1.86,5.34,;.91,6.55,;-.62,6.33,;-1.57,7.54,;-2.89,6.94,;-3.98,7.99,;-3.62,9.48,;-2.14,9.89,;-1.05,8.84,;-2.2,8.68,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;4.94,-8.18,;6.42,-8.61,;7.53,-7.55,;8.72,-7.9,;7.17,-6.05,;5.69,-5.62,;1.42,-3.96,)|
Show InChI InChI=1/C28H34FN5O3S/c29-23-2-1-19(13-24(23)36-16-28-5-3-21(37-28)4-6-28)22-15-34(27-25(22)26(30)31-17-32-27)20-11-18(12-20)14-33-7-9-38(35)10-8-33/h1-2,13,15,17-18,20-21H,3-12,14,16H2,(H2,30,31,32)/t18-,20+,21?,28?
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 12n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of IGF-1 receptor (unknown origin) in presence of [gamma33P]ATP


Bioorg Med Chem Lett 26: 2057-64 (2016)


BindingDB Entry DOI: 10.7270/Q29K4D4J
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50156375
PNG
(CHEMBL3785995)
Show SMILES Nc1ncnc2n(cc(-c3ccc(F)c(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CN2CC[S+]([O-])CC2)C1 |r,wD:26.30,28.33,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.56,;3.84,6.7,;1.86,5.34,;.91,6.55,;-.62,6.33,;-1.57,7.54,;-2.89,6.94,;-3.98,7.99,;-3.62,9.48,;-2.14,9.89,;-1.05,8.84,;-2.2,8.68,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;4.94,-8.18,;6.42,-8.61,;7.53,-7.55,;8.72,-7.9,;7.17,-6.05,;5.69,-5.62,;1.42,-3.96,)|
Show InChI InChI=1/C28H34FN5O3S/c29-23-2-1-19(13-24(23)36-16-28-5-3-21(37-28)4-6-28)22-15-34(27-25(22)26(30)31-17-32-27)20-11-18(12-20)14-33-7-9-38(35)10-8-33/h1-2,13,15,17-18,20-21H,3-12,14,16H2,(H2,30,31,32)/t18-,20+,21?,28?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 31n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of full length IGF-1 receptor (unknown origin) autophosphorylation transfected in HEK293 cells pretreated for 60 mins followed by IGF-1 st...


Bioorg Med Chem Lett 26: 2057-64 (2016)


BindingDB Entry DOI: 10.7270/Q29K4D4J
More data for this
Ligand-Target Pair