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SMILES: COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCCc2ccccc2)cc(OC)c1OC

InChI Key: InChIKey=JWEFMNVXBCOSGY-FQEVSTJZSA-N

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 2 hits for monomerid = 50382667   
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
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50382667
PNG
(CHEMBL2023549)
Show SMILES COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCCc2ccccc2)cc(OC)c1OC |r|
Show InChI InChI=1S/C27H33N5O4/c1-34-22-16-21(17-23(35-2)25(22)36-3)30-27-29-14-12-24(31-27)32-15-7-10-20(18-32)26(33)28-13-11-19-8-5-4-6-9-19/h4-6,8-9,12,14,16-17,20H,7,10-11,13,15,18H2,1-3H3,(H,28,33)(H,29,30,31)/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 358n/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
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50382667
PNG
(CHEMBL2023549)
Show SMILES COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCCc2ccccc2)cc(OC)c1OC |r|
Show InChI InChI=1S/C27H33N5O4/c1-34-22-16-21(17-23(35-2)25(22)36-3)30-27-29-14-12-24(31-27)32-15-7-10-20(18-32)26(33)28-13-11-19-8-5-4-6-9-19/h4-6,8-9,12,14,16-17,20H,7,10-11,13,15,18H2,1-3H3,(H,28,33)(H,29,30,31)/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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