BindingDB logo
myBDB logout

BDBM50300958 3-(2-(2-hydroxyethylamino)ethylamino)-7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1H)-one::CHEMBL567252

SMILES: CCCOCCn1c2cc(ncc2nc(NCCNCCO)c1=O)-c1ccc(OC)nc1

InChI Key: InChIKey=CPYDGVQEYKJGKY-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50300958   
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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50300958
PNG
(3-(2-(2-hydroxyethylamino)ethylamino)-7-(6-methoxy...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCCNCCO)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C22H30N6O4/c1-3-11-32-12-9-28-19-13-17(16-4-5-20(31-2)26-14-16)25-15-18(19)27-21(22(28)30)24-7-6-23-8-10-29/h4-5,13-15,23,29H,3,6-12H2,1-2H3,(H,24,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 5209-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.019
BindingDB Entry DOI: 10.7270/Q2H41RHV
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50300958
PNG
(3-(2-(2-hydroxyethylamino)ethylamino)-7-(6-methoxy...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCCNCCO)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C22H30N6O4/c1-3-11-32-12-9-28-19-13-17(16-4-5-20(31-2)26-14-16)25-15-18(19)27-21(22(28)30)24-7-6-23-8-10-29/h4-5,13-15,23,29H,3,6-12H2,1-2H3,(H,24,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch-clamp method


J Med Chem 53: 2656-60 (2010)


Article DOI: 10.1021/jm901781q
BindingDB Entry DOI: 10.7270/Q2VM4CCK
More data for this
Ligand-Target Pair
Phosphodiesterase 6A


(Homo sapiens)
BDBM50300958
PNG
(3-(2-(2-hydroxyethylamino)ethylamino)-7-(6-methoxy...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCCNCCO)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C22H30N6O4/c1-3-11-32-12-9-28-19-13-17(16-4-5-20(31-2)26-14-16)25-15-18(19)27-21(22(28)30)24-7-6-23-8-10-29/h4-5,13-15,23,29H,3,6-12H2,1-2H3,(H,24,27)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 272n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE6


Bioorg Med Chem Lett 19: 5209-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.019
BindingDB Entry DOI: 10.7270/Q2H41RHV
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50300958
PNG
(3-(2-(2-hydroxyethylamino)ethylamino)-7-(6-methoxy...)
Show SMILES CCCOCCn1c2cc(ncc2nc(NCCNCCO)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C22H30N6O4/c1-3-11-32-12-9-28-19-13-17(16-4-5-20(31-2)26-14-16)25-15-18(19)27-21(22(28)30)24-7-6-23-8-10-29/h4-5,13-15,23,29H,3,6-12H2,1-2H3,(H,24,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human platelet PDE5 assessed as reduction in conversion of [3H]cGMP to [3H]GMP after 2 hr by scintillation proximity assay


J Med Chem 53: 2656-60 (2010)


Article DOI: 10.1021/jm901781q
BindingDB Entry DOI: 10.7270/Q2VM4CCK
More data for this
Ligand-Target Pair