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BDBM50399897 CHEMBL2180942

SMILES: CCCOc1ccc(cc1-c1nc(C(C)C)c(Br)c(=O)[nH]1)S(=O)(=O)N1CCN(C)CC1

InChI Key: InChIKey=LMZYNSBAUOTKJP-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50399897   
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


(Homo sapiens (Human))
BDBM50399897
PNG
(CHEMBL2180942)
Show SMILES CCCOc1ccc(cc1-c1nc(C(C)C)c(Br)c(=O)[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C21H29BrN4O4S/c1-5-12-30-17-7-6-15(31(28,29)26-10-8-25(4)9-11-26)13-16(17)20-23-19(14(2)3)18(22)21(27)24-20/h6-7,13-14H,5,8-12H2,1-4H3,(H,23,24,27)
PDB

KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 7.40n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PDE6 (unknown origin)


Bioorg Med Chem Lett 23: 4944-7 (2013)

More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50399897
PNG
(CHEMBL2180942)
Show SMILES CCCOc1ccc(cc1-c1nc(C(C)C)c(Br)c(=O)[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C21H29BrN4O4S/c1-5-12-30-17-7-6-15(31(28,29)26-10-8-25(4)9-11-26)13-16(17)20-23-19(14(2)3)18(22)21(27)24-20/h6-7,13-14H,5,8-12H2,1-4H3,(H,23,24,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.20n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5A by [3H]cGMP based tritium scintillation proximity assay


J Med Chem 55: 10540-50 (2012)


Article DOI: 10.1021/jm301159y
BindingDB Entry DOI: 10.7270/Q2154J6G
More data for this
Ligand-Target Pair