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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostacyclin receptor' and Ligand = 'BDBM50103436'   
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)
BDBM50103436
PNG
(CHEMBL3398214)
Show SMILES OC(=O)COc1cccc2CC(Cn3nc(-c4cccc(F)c4)c(cc3=O)-c3ccccc3)CCc12
Show InChI InChI=1S/C29H25FN2O4/c30-23-10-4-9-22(15-23)29-25(20-6-2-1-3-7-20)16-27(33)32(31-29)17-19-12-13-24-21(14-19)8-5-11-26(24)36-18-28(34)35/h1-11,15-16,19H,12-14,17-18H2,(H,34,35)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.37E+3n/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))
BDBM50103436
PNG
(CHEMBL3398214)
Show SMILES OC(=O)COc1cccc2CC(Cn3nc(-c4cccc(F)c4)c(cc3=O)-c3ccccc3)CCc12
Show InChI InChI=1S/C29H25FN2O4/c30-23-10-4-9-22(15-23)29-25(20-6-2-1-3-7-20)16-27(33)32(31-29)17-19-12-13-24-21(14-19)8-5-11-26(24)36-18-28(34)35/h1-11,15-16,19H,12-14,17-18H2,(H,34,35)
PDB

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.06E+3n/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