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BDBM50382660 CHEMBL2023556

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

InChI Key: InChIKey=LDRVTAIULYJYRP-SFHVURJKSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50382660   
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))
BDBM50382660
PNG
(CHEMBL2023556)
Show SMILES COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2cccc(OC(F)(F)F)c2)cc(OC)c1OC
Show InChI InChI=1S/C27H30F3N5O5/c1-37-21-13-19(14-22(38-2)24(21)39-3)33-26-31-10-9-23(34-26)35-11-5-7-18(16-35)25(36)32-15-17-6-4-8-20(12-17)40-27(28,29)30/h4,6,8-10,12-14,18H,5,7,11,15-16H2,1-3H3,(H,32,36)(H,31,33,34)/t18-/m0/s1
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PC sid
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Article
PubMed
n/an/a 116n/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)

More data for this
Ligand-Target Pair
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50382660
PNG
(CHEMBL2023556)
Show SMILES COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2cccc(OC(F)(F)F)c2)cc(OC)c1OC
Show InChI InChI=1S/C27H30F3N5O5/c1-37-21-13-19(14-22(38-2)24(21)39-3)33-26-31-10-9-23(34-26)35-11-5-7-18(16-35)25(36)32-15-17-6-4-8-20(12-17)40-27(28,29)30/h4,6,8-10,12-14,18H,5,7,11,15-16H2,1-3H3,(H,32,36)(H,31,33,34)/t18-/m0/s1
PDB

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UniProtKB/SwissProt

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DrugBank
GoogleScholar
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CHEMBL
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PC cid
PC sid
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UniChem

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PDB
Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK phosphorylation in human Karpas-299 cells after 1 hr


J Med Chem 55: 1698-705 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)


(Homo sapiens (Human))
BDBM50382660
PNG
(CHEMBL2023556)
Show SMILES COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2cccc(OC(F)(F)F)c2)cc(OC)c1OC
Show InChI InChI=1S/C27H30F3N5O5/c1-37-21-13-19(14-22(38-2)24(21)39-3)33-26-31-10-9-23(34-26)35-11-5-7-18(16-35)25(36)32-15-17-6-4-8-20(12-17)40-27(28,29)30/h4,6,8-10,12-14,18H,5,7,11,15-16H2,1-3H3,(H,32,36)(H,31,33,34)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 16n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)