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SMILES: COc1ccc(CSc2nnc(-c3ccc(OCC(=O)NC4CCCCC4)cc3)n2Cc2ccccc2)cc1

InChI Key: InChIKey=SHTYSMCLVAUOLL-UHFFFAOYSA-N

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 = 50529737   
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
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta


(Homo sapiens (Human))
BDBM50529737
PNG
(CHEMBL4459864)
Show SMILES COc1ccc(CSc2nnc(-c3ccc(OCC(=O)NC4CCCCC4)cc3)n2Cc2ccccc2)cc1
Show InChI InChI=1S/C31H34N4O3S/c1-37-27-16-12-24(13-17-27)22-39-31-34-33-30(35(31)20-23-8-4-2-5-9-23)25-14-18-28(19-15-25)38-21-29(36)32-26-10-6-3-7-11-26/h2,4-5,8-9,12-19,26H,3,6-7,10-11,20-22H2,1H3,(H,32,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta


(Homo sapiens (Human))
BDBM50529737
PNG
(CHEMBL4459864)
Show SMILES COc1ccc(CSc2nnc(-c3ccc(OCC(=O)NC4CCCCC4)cc3)n2Cc2ccccc2)cc1
Show InChI InChI=1S/C31H34N4O3S/c1-37-27-16-12-24(13-17-27)22-39-31-34-33-30(35(31)20-23-8-4-2-5-9-23)25-14-18-28(19-15-25)38-21-29(36)32-26-10-6-3-7-11-26/h2,4-5,8-9,12-19,26H,3,6-7,10-11,20-22H2,1H3,(H,32,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair