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BDBM50321053 CHEMBL1163559::{4-[1-(5-Chloro-2-trifluoromethyl-benzyl)-1,2,3,4-tetrahydro-pyrido[2,3-b]pyrazin-7-yl]-phenyl}-(4-pyrrolidin-1-ylpiperidin-1-yl)-methanone

SMILES: FC(F)(F)c1ccc(Cl)cc1CN1CCNc2ncc(cc12)-c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1

InChI Key: InChIKey=JVVGHVJDZJSKRA-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50321053   
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))
BDBM50321053
PNG
(CHEMBL1163559 | {4-[1-(5-Chloro-2-trifluoromethyl-...)
Show SMILES FC(F)(F)c1ccc(Cl)cc1CN1CCNc2ncc(cc12)-c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C31H33ClF3N5O/c32-25-7-8-27(31(33,34)35)24(17-25)20-40-16-11-36-29-28(40)18-23(19-37-29)21-3-5-22(6-4-21)30(41)39-14-9-26(10-15-39)38-12-1-2-13-38/h3-8,17-19,26H,1-2,9-16,20H2,(H,36,37)
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK by time-resolved fluorescence assay


Bioorg Med Chem 18: 4351-62 (2010)


Article DOI: 10.1016/j.bmc.2010.04.087
BindingDB Entry DOI: 10.7270/Q2057GXW
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50321053
PNG
(CHEMBL1163559 | {4-[1-(5-Chloro-2-trifluoromethyl-...)
Show SMILES FC(F)(F)c1ccc(Cl)cc1CN1CCNc2ncc(cc12)-c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C31H33ClF3N5O/c32-25-7-8-27(31(33,34)35)24(17-25)20-40-16-11-36-29-28(40)18-23(19-37-29)21-3-5-22(6-4-21)30(41)39-14-9-26(10-15-39)38-12-1-2-13-38/h3-8,17-19,26H,1-2,9-16,20H2,(H,36,37)
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK phosphorylation in human Karpas-299 cells by immunoblotting and ELISA


Bioorg Med Chem 18: 4351-62 (2010)


Article DOI: 10.1016/j.bmc.2010.04.087
BindingDB Entry DOI: 10.7270/Q2057GXW
More data for this
Ligand-Target Pair