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BDBM50157527 CHEMBL3785497

SMILES: COc1cc2c(CC\C(=N/NC(C)=O)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

InChI Key: InChIKey=QAMCTSUGODOACP-KVQDIILNSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50157527   
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))
BDBM50157527
PNG
(CHEMBL3785497)
Show SMILES COc1cc2c(CC\C(=N/NC(C)=O)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H33ClN6O4S/c1-16(2)40(37,38)24-10-8-7-9-21(24)31-26-20(29)15-30-27(33-26)32-22-13-18-11-12-25(35-34-17(3)36)28(4,5)19(18)14-23(22)39-6/h7-10,13-16H,11-12H2,1-6H3,(H,34,36)(H2,30,31,32,33)/b35-25+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of ALK L1196M mutant (unknown origin) after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1720-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.052
BindingDB Entry DOI: 10.7270/Q2TF007P
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50157527
PNG
(CHEMBL3785497)
Show SMILES COc1cc2c(CC\C(=N/NC(C)=O)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H33ClN6O4S/c1-16(2)40(37,38)24-10-8-7-9-21(24)31-26-20(29)15-30-27(33-26)32-22-13-18-11-12-25(35-34-17(3)36)28(4,5)19(18)14-23(22)39-6/h7-10,13-16H,11-12H2,1-6H3,(H,34,36)(H2,30,31,32,33)/b35-25+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Chungbuk National University

Curated by ChEMBL


Assay Description
Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assay


Bioorg Med Chem Lett 26: 1720-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.052
BindingDB Entry DOI: 10.7270/Q2TF007P
More data for this
Ligand-Target Pair