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BDBM50300952 3-(trans-4-hydroxycyclohexylamino)-7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2(1H)-one::CHEMBL566820

SMILES: CCCOCCn1c2cc(cnc2nc(N[C@H]2CC[C@H](O)CC2)c1=O)-c1ccc(OC)nc1

InChI Key: InChIKey=SSRAHRSVUAHQNC-WGSAOQKQSA-N

Data: 2 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 2 hits for monomerid = 50300952   
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
Phosphodiesterase 6A


(Homo sapiens (Human))
BDBM50300952
PNG
(3-(trans-4-hydroxycyclohexylamino)-7-(6-methoxypyr...)
Show SMILES CCCOCCn1c2cc(cnc2nc(N[C@H]2CC[C@H](O)CC2)c1=O)-c1ccc(OC)nc1 |r,wU:16.16,wD:19.20,(3.98,.08,;2.65,-.69,;2.65,-2.23,;1.32,-3,;1.32,-4.54,;-.02,-5.31,;-.02,-6.85,;1.31,-7.63,;2.64,-6.86,;3.96,-7.62,;3.97,-9.17,;2.64,-9.93,;1.31,-9.17,;-.02,-9.93,;-1.36,-9.16,;-2.7,-9.93,;-4.03,-9.15,;-5.37,-9.93,;-6.7,-9.15,;-6.69,-7.6,;-8.02,-6.82,;-5.35,-6.84,;-4.03,-7.62,;-1.35,-7.63,;-2.68,-6.86,;5.29,-6.85,;6.63,-7.62,;7.96,-6.84,;7.95,-5.3,;9.28,-4.53,;10.62,-5.29,;6.61,-4.54,;5.28,-5.31,)|
Show InChI InChI=1S/C24H31N5O4/c1-3-11-33-12-10-29-20-13-17(16-4-9-21(32-2)25-14-16)15-26-22(20)28-23(24(29)31)27-18-5-7-19(30)8-6-18/h4,9,13-15,18-19,30H,3,5-8,10-12H2,1-2H3,(H,26,27,28)/t18-,19-
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/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))
BDBM50300952
PNG
(3-(trans-4-hydroxycyclohexylamino)-7-(6-methoxypyr...)
Show SMILES CCCOCCn1c2cc(cnc2nc(N[C@H]2CC[C@H](O)CC2)c1=O)-c1ccc(OC)nc1 |r,wU:16.16,wD:19.20,(3.98,.08,;2.65,-.69,;2.65,-2.23,;1.32,-3,;1.32,-4.54,;-.02,-5.31,;-.02,-6.85,;1.31,-7.63,;2.64,-6.86,;3.96,-7.62,;3.97,-9.17,;2.64,-9.93,;1.31,-9.17,;-.02,-9.93,;-1.36,-9.16,;-2.7,-9.93,;-4.03,-9.15,;-5.37,-9.93,;-6.7,-9.15,;-6.69,-7.6,;-8.02,-6.82,;-5.35,-6.84,;-4.03,-7.62,;-1.35,-7.63,;-2.68,-6.86,;5.29,-6.85,;6.63,-7.62,;7.96,-6.84,;7.95,-5.3,;9.28,-4.53,;10.62,-5.29,;6.61,-4.54,;5.28,-5.31,)|
Show InChI InChI=1S/C24H31N5O4/c1-3-11-33-12-10-29-20-13-17(16-4-9-21(32-2)25-14-16)15-26-22(20)28-23(24(29)31)27-18-5-7-19(30)8-6-18/h4,9,13-15,18-19,30H,3,5-8,10-12H2,1-2H3,(H,26,27,28)/t18-,19-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.320n/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