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BDBM50158508 CHEMBL3787271

SMILES: CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OCC34CCC(CC3)O4)ccc2F)c2c(N)ncnc12

InChI Key: InChIKey=YOTQLOMFEGZDSX-NMHAHAAINA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50158508   
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))
BDBM50158508
PNG
(CHEMBL3787271)
Show SMILES CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OCC34CCC(CC3)O4)ccc2F)c2c(N)ncnc12 |r,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;8.5,4.87,;10.02,4.88,;10.78,6.2,;9.99,7.52,;8.47,7.51,;9.19,6.61,;3.38,5.56,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
Show InChI InChI=1/C29H35FN6O3/c1-18(37)34-8-10-35(11-9-34)19-12-20(13-19)36-15-24(26-27(31)32-17-33-28(26)36)23-14-22(2-3-25(23)30)38-16-29-6-4-21(39-29)5-7-29/h2-3,14-15,17,19-21H,4-13,16H2,1H3,(H2,31,32,33)/t19-,20+,21?,29?
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n/an/a 7.80n/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) transfected in Ba/F3 cells assessed as cell proliferation


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))
BDBM50158508
PNG
(CHEMBL3787271)
Show SMILES CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OCC34CCC(CC3)O4)ccc2F)c2c(N)ncnc12 |r,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;8.5,4.87,;10.02,4.88,;10.78,6.2,;9.99,7.52,;8.47,7.51,;9.19,6.61,;3.38,5.56,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
Show InChI InChI=1/C29H35FN6O3/c1-18(37)34-8-10-35(11-9-34)19-12-20(13-19)36-15-24(26-27(31)32-17-33-28(26)36)23-14-22(2-3-25(23)30)38-16-29-6-4-21(39-29)5-7-29/h2-3,14-15,17,19-21H,4-13,16H2,1H3,(H2,31,32,33)/t19-,20+,21?,29?
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n/an/a 12n/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
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50158508
PNG
(CHEMBL3787271)
Show SMILES CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OCC34CCC(CC3)O4)ccc2F)c2c(N)ncnc12 |r,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;8.5,4.87,;10.02,4.88,;10.78,6.2,;9.99,7.52,;8.47,7.51,;9.19,6.61,;3.38,5.56,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
Show InChI InChI=1/C29H35FN6O3/c1-18(37)34-8-10-35(11-9-34)19-12-20(13-19)36-15-24(26-27(31)32-17-33-28(26)36)23-14-22(2-3-25(23)30)38-16-29-6-4-21(39-29)5-7-29/h2-3,14-15,17,19-21H,4-13,16H2,1H3,(H2,31,32,33)/t19-,20+,21?,29?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 13n/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