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BDBM50361097 CHEMBL1933575

SMILES: NC(=O)c1c[nH]c(c1)-c1ccnc(N)n1

InChI Key: InChIKey=LZHRODNGEZPNSC-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50361097   
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
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50361097
PNG
(CHEMBL1933575)
Show SMILES NC(=O)c1c[nH]c(c1)-c1ccnc(N)n1
Show InChI InChI=1S/C9H9N5O/c10-8(15)5-3-7(13-4-5)6-1-2-12-9(11)14-6/h1-4,13H,(H2,10,15)(H2,11,12,14)
PDB

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



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
BindingDB Entry DOI: 10.7270/Q2W959NX
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50361097
PNG
(CHEMBL1933575)
Show SMILES NC(=O)c1c[nH]c(c1)-c1ccnc(N)n1
Show InChI InChI=1S/C9H9N5O/c10-8(15)5-3-7(13-4-5)6-1-2-12-9(11)14-6/h1-4,13H,(H2,10,15)(H2,11,12,14)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
BindingDB Entry DOI: 10.7270/Q2W959NX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50361097
PNG
(CHEMBL1933575)
Show SMILES NC(=O)c1c[nH]c(c1)-c1ccnc(N)n1
Show InChI InChI=1S/C9H9N5O/c10-8(15)5-3-7(13-4-5)6-1-2-12-9(11)14-6/h1-4,13H,(H2,10,15)(H2,11,12,14)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
BindingDB Entry DOI: 10.7270/Q2W959NX
More data for this
Ligand-Target Pair