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BDBM50418255 CHEMBL1765760

SMILES: CNc1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1

InChI Key: InChIKey=FUWKNYZEQAGYBA-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50418255   
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
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50418255
PNG
(CHEMBL1765760)
Show SMILES CNc1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
Show InChI InChI=1S/C12H13N7/c1-15-10-5-8(16-12(14)17-10)6-2-3-7-9(4-6)18-19-11(7)13/h2-5H,1H3,(H3,13,18,19)(H3,14,15,16,17)
PDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ALK5


J Med Chem 54: 1871-95 (2011)


Article DOI: 10.1021/jm101527u
BindingDB Entry DOI: 10.7270/Q2HQ406Q
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50418255
PNG
(CHEMBL1765760)
Show SMILES CNc1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
Show InChI InChI=1S/C12H13N7/c1-15-10-5-8(16-12(14)17-10)6-2-3-7-9(4-6)18-19-11(7)13/h2-5H,1H3,(H3,13,18,19)(H3,14,15,16,17)
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 79n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of PDK1-mediated AKT phosphorylation at Thr308 residue in human PC3 cells by ELISA


J Med Chem 54: 1871-95 (2011)


Article DOI: 10.1021/jm101527u
BindingDB Entry DOI: 10.7270/Q2HQ406Q
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50418255
PNG
(CHEMBL1765760)
Show SMILES CNc1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
Show InChI InChI=1S/C12H13N7/c1-15-10-5-8(16-12(14)17-10)6-2-3-7-9(4-6)18-19-11(7)13/h2-5H,1H3,(H3,13,18,19)(H3,14,15,16,17)
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 7.94E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


J Med Chem 54: 1871-95 (2011)


Article DOI: 10.1021/jm101527u
BindingDB Entry DOI: 10.7270/Q2HQ406Q
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50418255
PNG
(CHEMBL1765760)
Show SMILES CNc1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
Show InChI InChI=1S/C12H13N7/c1-15-10-5-8(16-12(14)17-10)6-2-3-7-9(4-6)18-19-11(7)13/h2-5H,1H3,(H3,13,18,19)(H3,14,15,16,17)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.26E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of aurora B


J Med Chem 54: 1871-95 (2011)


Article DOI: 10.1021/jm101527u
BindingDB Entry DOI: 10.7270/Q2HQ406Q
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50418255
PNG
(CHEMBL1765760)
Show SMILES CNc1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1
Show InChI InChI=1S/C12H13N7/c1-15-10-5-8(16-12(14)17-10)6-2-3-7-9(4-6)18-19-11(7)13/h2-5H,1H3,(H3,13,18,19)(H3,14,15,16,17)
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 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of aurora A


J Med Chem 54: 1871-95 (2011)


Article DOI: 10.1021/jm101527u
BindingDB Entry DOI: 10.7270/Q2HQ406Q
More data for this
Ligand-Target Pair