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SMILES: CN1C2=N[C@@H]3CCC[C@@H]3N2c2nn(Cc3ccccc3)c(c2C1=O)-c1ccccc1

InChI Key: InChIKey=LABGENIBVXEMHK-MOPGFXCFSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50061900   
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


(Bos taurus)
BDBM50061900
PNG
((6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-5-methyl-3-pheny...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nn(Cc3ccccc3)c(c2C1=O)-c1ccccc1 |t:2|
Show InChI InChI=1S/C24H23N5O/c1-27-23(30)20-21(17-11-6-3-7-12-17)28(15-16-9-4-2-5-10-16)26-22(20)29-19-14-8-13-18(19)25-24(27)29/h2-7,9-12,18-19H,8,13-15H2,1H3/t18-,19+/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 from bovine lung


J Med Chem 40: 4372-7 (1998)


Article DOI: 10.1021/jm970495b
BindingDB Entry DOI: 10.7270/Q2833R45
More data for this
Ligand-Target Pair
Phosphodiesterase


(Bos taurus)
BDBM50061900
PNG
((6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-5-methyl-3-pheny...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nn(Cc3ccccc3)c(c2C1=O)-c1ccccc1 |t:2|
Show InChI InChI=1S/C24H23N5O/c1-27-23(30)20-21(17-11-6-3-7-12-17)28(15-16-9-4-2-5-10-16)26-22(20)29-19-14-8-13-18(19)25-24(27)29/h2-7,9-12,18-19H,8,13-15H2,1H3/t18-,19+/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.50E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 3 from bovine heart


J Med Chem 40: 4372-7 (1998)


Article DOI: 10.1021/jm970495b
BindingDB Entry DOI: 10.7270/Q2833R45
More data for this
Ligand-Target Pair