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SMILES: COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccc(cc2)-c2ccccc2)cc(OC)c1OC

InChI Key: InChIKey=XBWHJAYIDHYWKS-VWLOTQADSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50382650   
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 1 receptor


(Homo sapiens (Human))
BDBM50382650
PNG
(CHEMBL2023999)
Show SMILES COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccc(cc2)-c2ccccc2)cc(OC)c1OC |r|
Show InChI InChI=1S/C32H35N5O4/c1-39-27-18-26(19-28(40-2)30(27)41-3)35-32-33-16-15-29(36-32)37-17-7-10-25(21-37)31(38)34-20-22-11-13-24(14-12-22)23-8-5-4-6-9-23/h4-6,8-9,11-16,18-19,25H,7,10,17,20-21H2,1-3H3,(H,34,38)(H,33,35,36)/t25-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-fused IGF1R cytoplasmic domain (960 to 1367) expressed in Hi5 cells using Biotin- Ahx- EEEEAYGWLDF-OH as substrate...


J Med Chem 55: 1698-705 (2012)


Article DOI: 10.1021/jm201565s
BindingDB Entry DOI: 10.7270/Q20P111R
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50382650
PNG
(CHEMBL2023999)
Show SMILES COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccc(cc2)-c2ccccc2)cc(OC)c1OC |r|
Show InChI InChI=1S/C32H35N5O4/c1-39-27-18-26(19-28(40-2)30(27)41-3)35-32-33-16-15-29(36-32)37-17-7-10-25(21-37)31(38)34-20-22-11-13-24(14-12-22)23-8-5-4-6-9-23/h4-6,8-9,11-16,18-19,25H,7,10,17,20-21H2,1-3H3,(H,34,38)(H,33,35,36)/t25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 138n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-fused ALK cytoplasmic domain (1058 to 1620) expressed in SF9 cells using Biotin-Ahx- EQEDEPEGIYGVLF-OH as substrat...


J Med Chem 55: 1698-705 (2012)


Article DOI: 10.1021/jm201565s
BindingDB Entry DOI: 10.7270/Q20P111R
More data for this
Ligand-Target Pair