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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostacyclin receptor' and Ligand = 'BDBM50103409'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostacyclin receptor


(RAT)
BDBM50103409
PNG
(CHEMBL3398221)
Show SMILES COc1cccc(c1)-c1cc(=O)n(CC2CCc3c(C2)cccc3OCC(O)=O)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C30H27FN2O5/c1-37-24-6-2-4-22(15-24)26-16-28(34)33(32-30(26)20-9-11-23(31)12-10-20)17-19-8-13-25-21(14-19)5-3-7-27(25)38-18-29(35)36/h2-7,9-12,15-16,19H,8,13-14,17-18H2,1H3,(H,35,36)
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PC sid
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Article
PubMed
n/an/an/an/a 620n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant IP receptor expressed in CHO-K1 cells incubated for 1 hr by HTRF cAMP assay


Bioorg Med Chem Lett 25: 1030-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.024
BindingDB Entry DOI: 10.7270/Q2057HQM
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50103409
PNG
(CHEMBL3398221)
Show SMILES COc1cccc(c1)-c1cc(=O)n(CC2CCc3c(C2)cccc3OCC(O)=O)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C30H27FN2O5/c1-37-24-6-2-4-22(15-24)26-16-28(34)33(32-30(26)20-9-11-23(31)12-10-20)17-19-8-13-25-21(14-19)5-3-7-27(25)38-18-29(35)36/h2-7,9-12,15-16,19H,8,13-14,17-18H2,1H3,(H,35,36)
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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 62n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant IP receptor expressed in CHO-K1 cells incubated for 1 hr by HTRF cAMP assay


Bioorg Med Chem Lett 25: 1030-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.024
BindingDB Entry DOI: 10.7270/Q2057HQM
More data for this
Ligand-Target Pair