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BDBM50117718 8-{5-[4-(2-Dimethylamino-ethyl)-piperazine-1-sulfonyl]-2-propoxy-phenyl}-3-isobutyl-1-methyl-3,7-dihydro-purine-2,6-dione::CHEMBL313197

SMILES: CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCN(C)C)CC1

InChI Key: InChIKey=YCCXTYINOCEEDU-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50117718   
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 6


(Bos taurus-Bos taurus (Bovine))
BDBM50117718
PNG
(8-{5-[4-(2-Dimethylamino-ethyl)-piperazine-1-sulfo...)
Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCN(C)C)CC1
Show InChI InChI=1S/C27H41N7O5S/c1-7-16-39-22-9-8-20(40(37,38)33-14-12-32(13-15-33)11-10-30(4)5)17-21(22)24-28-23-25(29-24)34(18-19(2)3)27(36)31(6)26(23)35/h8-9,17,19H,7,10-16,18H2,1-6H3,(H,28,29)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 37n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity


Bioorg Med Chem Lett 12: 2587-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00480-8
BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50117718
PNG
(8-{5-[4-(2-Dimethylamino-ethyl)-piperazine-1-sulfo...)
Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCN(C)C)CC1
Show InChI InChI=1S/C27H41N7O5S/c1-7-16-39-22-9-8-20(40(37,38)33-14-12-32(13-15-33)11-10-30(4)5)17-21(22)24-28-23-25(29-24)34(18-19(2)3)27(36)31(6)26(23)35/h8-9,17,19H,7,10-16,18H2,1-6H3,(H,28,29)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5)


Bioorg Med Chem Lett 12: 2587-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00480-8
BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair