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BDBM50157322 CHEMBL3786831

SMILES: COc1cc2CC\C(=N/O)C(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

InChI Key: InChIKey=DLZCCQFNABDGIZ-AWSUPERCSA-N

Data: 2 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 2 hits for monomerid = 50157322   
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))
BDBM50157322
PNG
(CHEMBL3786831)
Show SMILES COc1cc2CC\C(=N/O)C(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H30ClN5O4S/c1-15(2)37(34,35)22-9-7-6-8-19(22)29-24-18(27)14-28-25(31-24)30-20-13-17-16(12-21(20)36-5)10-11-23(32-33)26(17,3)4/h6-9,12-15,33H,10-11H2,1-5H3,(H2,28,29,30,31)/b32-23+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 600n/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))
BDBM50157322
PNG
(CHEMBL3786831)
Show SMILES COc1cc2CC\C(=N/O)C(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H30ClN5O4S/c1-15(2)37(34,35)22-9-7-6-8-19(22)29-24-18(27)14-28-25(31-24)30-20-13-17-16(12-21(20)36-5)10-11-23(32-33)26(17,3)4/h6-9,12-15,33H,10-11H2,1-5H3,(H2,28,29,30,31)/b32-23+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 424n/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