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BDBM50170104 CHEMBL3805020

SMILES: CN1CCC(CC1)Nc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1

InChI Key: InChIKey=HQZLQPMNIPRNBQ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50170104   
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))
BDBM50170104
PNG
(CHEMBL3805020)
Show SMILES CN1CCC(CC1)Nc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1
Show InChI InChI=1S/C32H37F2N7O/c1-39-9-7-25(8-10-39)35-30-20-26(41-13-11-40(2)12-14-41)4-5-27(30)32(42)36-31-28-18-21(3-6-29(28)37-38-31)15-22-16-23(33)19-24(34)17-22/h3-6,16-20,25,35H,7-15H2,1-2H3,(H2,36,37,38,42)
PDB
MMDB

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PC cid
PC sid
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PubMed
n/an/a 209n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin) in presence of gamma33-ATP


J Med Chem 59: 3392-408 (2016)


BindingDB Entry DOI: 10.7270/Q27M09TG
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50170104
PNG
(CHEMBL3805020)
Show SMILES CN1CCC(CC1)Nc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1
Show InChI InChI=1S/C32H37F2N7O/c1-39-9-7-25(8-10-39)35-30-20-26(41-13-11-40(2)12-14-41)4-5-27(30)32(42)36-31-28-18-21(3-6-29(28)37-38-31)15-22-16-23(33)19-24(34)17-22/h3-6,16-20,25,35H,7-15H2,1-2H3,(H2,36,37,38,42)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 15n/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)


BindingDB Entry DOI: 10.7270/Q27M09TG
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50170104
PNG
(CHEMBL3805020)
Show SMILES CN1CCC(CC1)Nc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1
Show InChI InChI=1S/C32H37F2N7O/c1-39-9-7-25(8-10-39)35-30-20-26(41-13-11-40(2)12-14-41)4-5-27(30)32(42)36-31-28-18-21(3-6-29(28)37-38-31)15-22-16-23(33)19-24(34)17-22/h3-6,16-20,25,35H,7-15H2,1-2H3,(H2,36,37,38,42)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 330n/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)


BindingDB Entry DOI: 10.7270/Q27M09TG
More data for this
Ligand-Target Pair