BindingDB logo
myBDB logout

BDBM50243285 2-(4-(2-phenyl-3-(4-((4-(5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)pyrido[3,2-b]pyrazin-6-yl)piperazin-1-yl)ethanol::CHEMBL449989

SMILES: OCCN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1

InChI Key: InChIKey=SQYAUXNWQOZSIY-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 = 50243285   
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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50243285
PNG
(2-(4-(2-phenyl-3-(4-((4-(5-(pyridin-2-yl)-4H-1,2,4...)
Show SMILES OCCN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
Show InChI InChI=1S/C38H40N10O/c49-25-24-46-20-22-48(23-21-46)33-14-13-32-37(41-33)42-35(34(40-32)28-6-2-1-3-7-28)29-11-9-27(10-12-29)26-47-18-15-30(16-19-47)36-43-38(45-44-36)31-8-4-5-17-39-31/h1-14,17,30,49H,15-16,18-26H2,(H,43,44,45)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Akt1 (unknown origin) by cellular assay


Bioorg Med Chem Lett 18: 4191-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.084
BindingDB Entry DOI: 10.7270/Q2RF5TTH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50243285
PNG
(2-(4-(2-phenyl-3-(4-((4-(5-(pyridin-2-yl)-4H-1,2,4...)
Show SMILES OCCN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
Show InChI InChI=1S/C38H40N10O/c49-25-24-46-20-22-48(23-21-46)33-14-13-32-37(41-33)42-35(34(40-32)28-6-2-1-3-7-28)29-11-9-27(10-12-29)26-47-18-15-30(16-19-47)36-43-38(45-44-36)31-8-4-5-17-39-31/h1-14,17,30,49H,15-16,18-26H2,(H,43,44,45)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG in embryonic kidney cells by radioligand-binding competition assay


Bioorg Med Chem Lett 18: 4191-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.084
BindingDB Entry DOI: 10.7270/Q2RF5TTH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM50243285
PNG
(2-(4-(2-phenyl-3-(4-((4-(5-(pyridin-2-yl)-4H-1,2,4...)
Show SMILES OCCN1CCN(CC1)c1ccc2nc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
Show InChI InChI=1S/C38H40N10O/c49-25-24-46-20-22-48(23-21-46)33-14-13-32-37(41-33)42-35(34(40-32)28-6-2-1-3-7-28)29-11-9-27(10-12-29)26-47-18-15-30(16-19-47)36-43-38(45-44-36)31-8-4-5-17-39-31/h1-14,17,30,49H,15-16,18-26H2,(H,43,44,45)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Akt2 (unknown origin) by cellular assay


Bioorg Med Chem Lett 18: 4191-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.084
BindingDB Entry DOI: 10.7270/Q2RF5TTH
More data for this
Ligand-Target Pair