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BDBM50348956 CHEMBL1808093

SMILES: CC(=O)Nc1ccc(Oc2nc[nH]c(=O)c2C=CC(C)=O)cc1

InChI Key: InChIKey=TXMMCYPOGAHHQH-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50348956   
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))
BDBM50348956
PNG
(CHEMBL1808093)
Show SMILES CC(=O)Nc1ccc(Oc2nc[nH]c(=O)c2C=CC(C)=O)cc1 |w:16.16|
Show InChI InChI=1S/C16H15N3O4/c1-10(20)3-8-14-15(22)17-9-18-16(14)23-13-6-4-12(5-7-13)19-11(2)21/h3-9H,1-2H3,(H,19,21)(H,17,18,22)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 6.64E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 6xHis-tagged NPM-ALK using biotinylated-poly(GT) peptide as substrate after 60 mins


Bioorg Med Chem Lett 21: 4592-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.103
BindingDB Entry DOI: 10.7270/Q2N87B4V
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50348956
PNG
(CHEMBL1808093)
Show SMILES CC(=O)Nc1ccc(Oc2nc[nH]c(=O)c2C=CC(C)=O)cc1 |w:16.16|
Show InChI InChI=1S/C16H15N3O4/c1-10(20)3-8-14-15(22)17-9-18-16(14)23-13-6-4-12(5-7-13)19-11(2)21/h3-9H,1-2H3,(H,19,21)(H,17,18,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant MET using biotinylated-poly(GT) peptide as substrate after 60 mins


Bioorg Med Chem Lett 21: 4592-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.103
BindingDB Entry DOI: 10.7270/Q2N87B4V
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50348956
PNG
(CHEMBL1808093)
Show SMILES CC(=O)Nc1ccc(Oc2nc[nH]c(=O)c2C=CC(C)=O)cc1 |w:16.16|
Show InChI InChI=1S/C16H15N3O4/c1-10(20)3-8-14-15(22)17-9-18-16(14)23-13-6-4-12(5-7-13)19-11(2)21/h3-9H,1-2H3,(H,19,21)(H,17,18,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant IRK using biotinylated-poly(GT) peptide as substrate after 60 mins


Bioorg Med Chem Lett 21: 4592-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.103
BindingDB Entry DOI: 10.7270/Q2N87B4V
More data for this
Ligand-Target Pair