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BDBM50382649 CHEMBL2024000

SMILES: COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2cccc(Oc3ccccc3)c2)cc(OC)c1OC

InChI Key: InChIKey=MTMPSUGSCASWJV-QHCPKHFHSA-N

Data: 2 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 2 hits for monomerid = 50382649   
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))
BDBM50382649
PNG
(CHEMBL2024000)
Show SMILES COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2cccc(Oc3ccccc3)c2)cc(OC)c1OC |r|
Show InChI InChI=1S/C32H35N5O5/c1-39-27-18-24(19-28(40-2)30(27)41-3)35-32-33-15-14-29(36-32)37-16-8-10-23(21-37)31(38)34-20-22-9-7-13-26(17-22)42-25-11-5-4-6-12-25/h4-7,9,11-15,17-19,23H,8,10,16,20-21H2,1-3H3,(H,34,38)(H,33,35,36)/t23-/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 2.77E+3n/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))
BDBM50382649
PNG
(CHEMBL2024000)
Show SMILES COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2cccc(Oc3ccccc3)c2)cc(OC)c1OC |r|
Show InChI InChI=1S/C32H35N5O5/c1-39-27-18-24(19-28(40-2)30(27)41-3)35-32-33-15-14-29(36-32)37-16-8-10-23(21-37)31(38)34-20-22-9-7-13-26(17-22)42-25-11-5-4-6-12-25/h4-7,9,11-15,17-19,23H,8,10,16,20-21H2,1-3H3,(H,34,38)(H,33,35,36)/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 192n/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