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SMILES: CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(Nc2ccccc2)c1

InChI Key: InChIKey=PNYLFBGVAMZTGS-UHFFFAOYSA-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 = 50170114   
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))
BDBM50170114
PNG
(CHEMBL3805009)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(Nc2ccccc2)c1
Show InChI InChI=1S/C32H30F2N6O/c1-39-11-13-40(14-12-39)26-8-9-27(30(20-26)35-25-5-3-2-4-6-25)32(41)36-31-28-18-21(7-10-29(28)37-38-31)15-22-16-23(33)19-24(34)17-22/h2-10,16-20,35H,11-15H2,1H3,(H2,36,37,38,41)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 684n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00064
BindingDB Entry DOI: 10.7270/Q27M09TG
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50170114
PNG
(CHEMBL3805009)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(Nc2ccccc2)c1
Show InChI InChI=1S/C32H30F2N6O/c1-39-11-13-40(14-12-39)26-8-9-27(30(20-26)35-25-5-3-2-4-6-25)32(41)36-31-28-18-21(7-10-29(28)37-38-31)15-22-16-23(33)19-24(34)17-22/h2-10,16-20,35H,11-15H2,1H3,(H2,36,37,38,41)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.87E+3n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of IR (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00064
BindingDB Entry DOI: 10.7270/Q27M09TG
More data for this
Ligand-Target Pair