BindingDB logo
myBDB logout

null

SMILES: [H][C@]12CS[C@@H](CCCCC(=O)NCCCOCCOCCOCCCNC(=O)C[C@H](O)C[C@H](O)CCn3c(C(C)C)c(C(=O)Nc4ccccc4)c(c3-c3ccc(F)cc3)-c3ccccc3)[C@@]1([H])NC(=O)N2

InChI Key: InChIKey=ALGBITIPCGGNIM-WBKLECSYSA-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 1 hit for monomerid = 50019861   
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))
BDBM50019861
PNG
(CHEMBL3286925)
Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCCOCCOCCOCCCNC(=O)C[C@H](O)C[C@H](O)CCn3c(C(C)C)c(C(=O)Nc4ccccc4)c(c3-c3ccc(F)cc3)-c3ccccc3)[C@@]1([H])NC(=O)N2 |r|
Show InChI InChI=1S/C53H71FN6O9S/c1-36(2)50-48(52(65)57-40-15-7-4-8-16-40)47(37-13-5-3-6-14-37)51(38-19-21-39(54)22-20-38)60(50)26-23-41(61)33-42(62)34-46(64)56-25-12-28-68-30-32-69-31-29-67-27-11-24-55-45(63)18-10-9-17-44-49-43(35-70-44)58-53(66)59-49/h3-8,13-16,19-22,36,41-44,49,61-62H,9-12,17-18,23-35H2,1-2H3,(H,55,63)(H,56,64)(H,57,65)(H2,58,59,66)/t41-,42-,43+,44+,49+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 26n/an/an/an/an/a



Max Planck Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged PDE-delta (unknown origin) measured every 3 mins by fluorescence polarization assay


J Med Chem 57: 5435-48 (2014)


Article DOI: 10.1021/jm500632s
BindingDB Entry DOI: 10.7270/Q24Q7WJP
More data for this
Ligand-Target Pair