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BDBM50134126 (5R,6R)-2-Cyclopropyl-6-(4-methoxy-phenyl)-2,3,6,7,12,12a-hexahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione::CHEMBL141703

SMILES: COc1ccc(cc1)[C@H]1N2[C@H](Cc3c1[nH]c1ccccc31)C(=O)N(CC2=O)C1CCCC1

InChI Key: InChIKey=SDAVSHBEXSOEJO-RCZVLFRGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50134126   
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 5A


(Bos taurus)
BDBM50134126
PNG
((5R,6R)-2-Cyclopropyl-6-(4-methoxy-phenyl)-2,3,6,7...)
Show SMILES COc1ccc(cc1)[C@H]1N2[C@H](Cc3c1[nH]c1ccccc31)C(=O)N(CC2=O)C1CCCC1
Show InChI InChI=1S/C26H27N3O3/c1-32-18-12-10-16(11-13-18)25-24-20(19-8-4-5-9-21(19)27-24)14-22-26(31)28(15-23(30)29(22)25)17-6-2-3-7-17/h4-5,8-13,17,22,25,27H,2-3,6-7,14-15H2,1H3/t22-,25-/m1/s1
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Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phosphodiesterase 5


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair