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SMILES: O=C1Nc2ccccc2C1C=Nc1ccc(cc1)-n1cncn1

InChI Key: InChIKey=JMHGNBUYCFIALY-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50366931   
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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50366931
PNG
(CHEMBL1794056)
Show SMILES O=C1Nc2ccccc2C1C=Nc1ccc(cc1)-n1cncn1 |w:10.11|
Show InChI InChI=1S/C17H13N5O/c23-17-15(14-3-1-2-4-16(14)21-17)9-19-12-5-7-13(8-6-12)22-11-18-10-20-22/h1-11,15H,(H,21,23)
PDB
MMDB

NCI pathway
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KEGG

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PC cid
PC sid
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of c-Raf1 kinase


Bioorg Med Chem Lett 14: 953-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.002
BindingDB Entry DOI: 10.7270/Q23R0TDF
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50366931
PNG
(CHEMBL1794056)
Show SMILES O=C1Nc2ccccc2C1C=Nc1ccc(cc1)-n1cncn1 |w:10.11|
Show InChI InChI=1S/C17H13N5O/c23-17-15(14-3-1-2-4-16(14)21-17)9-19-12-5-7-13(8-6-12)22-11-18-10-20-22/h1-11,15H,(H,21,23)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
n/an/a 8n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50366931
PNG
(CHEMBL1794056)
Show SMILES O=C1Nc2ccccc2C1C=Nc1ccc(cc1)-n1cncn1 |w:10.11|
Show InChI InChI=1S/C17H13N5O/c23-17-15(14-3-1-2-4-16(14)21-17)9-19-12-5-7-13(8-6-12)22-11-18-10-20-22/h1-11,15H,(H,21,23)
PDB

Reactome pathway
KEGG

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antibodypedia
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.20E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Cyclin-dependent kinase 2 cyclin A


Bioorg Med Chem Lett 14: 953-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.002
BindingDB Entry DOI: 10.7270/Q23R0TDF
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50366931
PNG
(CHEMBL1794056)
Show SMILES O=C1Nc2ccccc2C1C=Nc1ccc(cc1)-n1cncn1 |w:10.11|
Show InChI InChI=1S/C17H13N5O/c23-17-15(14-3-1-2-4-16(14)21-17)9-19-12-5-7-13(8-6-12)22-11-18-10-20-22/h1-11,15H,(H,21,23)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of receptor Tyrosine kinase A, TrkA (nerve growth factor receptor)


Bioorg Med Chem Lett 14: 953-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.002
BindingDB Entry DOI: 10.7270/Q23R0TDF
More data for this
Ligand-Target Pair