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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 576.1
BDBM50159522

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50159522
PNG
(CHEMBL3785711)
Show SMILES CC(C)CS(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC(C)C)C2CCNCC2)ncc1Cl
Show InChI InChI=1S/C27H38ClN7O3S/c1-16(2)15-39(36,37)26-23(14-35(6)34-26)31-25-21(28)13-30-27(33-25)32-22-11-18(5)20(12-24(22)38-17(3)4)19-7-9-29-10-8-19/h11-14,16-17,19,29H,7-10,15H2,1-6H3,(H2,30,31,32,33)
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Beijing Pearl Biotech Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1910-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50159522
PNG
(CHEMBL3785711)
Show SMILES CC(C)CS(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC(C)C)C2CCNCC2)ncc1Cl
Show InChI InChI=1S/C27H38ClN7O3S/c1-16(2)15-39(36,37)26-23(14-35(6)34-26)31-25-21(28)13-30-27(33-25)32-22-11-18(5)20(12-24(22)38-17(3)4)19-7-9-29-10-8-19/h11-14,16-17,19,29H,7-10,15H2,1-6H3,(H2,30,31,32,33)
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Beijing Pearl Biotech Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1910-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ
More data for this
Ligand-Target Pair