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BDBM50359167 CHEMBL1922987

SMILES: Cn1cc(\C=C2/C(=O)NN=C2c2nccs2)c2c(OCc3cc(F)ccc3F)cccc12

InChI Key: InChIKey=OKIVDMQXFARIQY-YBEGLDIGSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50359167   
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))
BDBM50359167
PNG
(CHEMBL1922987)
Show SMILES Cn1cc(\C=C2/C(=O)NN=C2c2nccs2)c2c(OCc3cc(F)ccc3F)cccc12
Show InChI InChI=1S/C23H16F2N4O2S/c1-29-11-13(10-16-21(27-28-22(16)30)23-26-7-8-32-23)20-18(29)3-2-4-19(20)31-12-14-9-15(24)5-6-17(14)25/h2-11H,12H2,1H3,(H,28,30)/b16-10-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Cephalon Inc

Curated by ChEMBL


Assay Description
Inhibition of nucleophosmin-fused ALK autophosphorylation in human Karpas299 cells


Bioorg Med Chem Lett 21: 7261-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.055
BindingDB Entry DOI: 10.7270/Q2T43TH7
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50359167
PNG
(CHEMBL1922987)
Show SMILES Cn1cc(\C=C2/C(=O)NN=C2c2nccs2)c2c(OCc3cc(F)ccc3F)cccc12
Show InChI InChI=1S/C23H16F2N4O2S/c1-29-11-13(10-16-21(27-28-22(16)30)23-26-7-8-32-23)20-18(29)3-2-4-19(20)31-12-14-9-15(24)5-6-17(14)25/h2-11H,12H2,1H3,(H,28,30)/b16-10-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Cephalon Inc

Curated by ChEMBL


Assay Description
Inhibition of ALK


Bioorg Med Chem Lett 21: 7261-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.055
BindingDB Entry DOI: 10.7270/Q2T43TH7
More data for this
Ligand-Target Pair