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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostacyclin receptor' and Ligand = 'BDBM50103396'   
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


(Homo sapiens (Human))
BDBM50103396
PNG
(CHEMBL3398236)
Show SMILES OC(=O)COc1cccc2C[C@H](Cn3ncc(-c4cccc(F)c4F)c(-c4ccc(F)cc4)c3=O)CCc12 |r|
Show InChI InChI=1S/C29H23F3N2O4/c30-20-10-8-18(9-11-20)27-23(22-4-2-5-24(31)28(22)32)14-33-34(29(27)37)15-17-7-12-21-19(13-17)3-1-6-25(21)38-16-26(35)36/h1-6,8-11,14,17H,7,12-13,15-16H2,(H,35,36)/t17-/m1/s1
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n/an/a 62n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human IP receptor in human platelets assessed as inhibition of ADP-induced platelet aggregation


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


(RAT)
BDBM50103396
PNG
(CHEMBL3398236)
Show SMILES OC(=O)COc1cccc2C[C@H](Cn3ncc(-c4cccc(F)c4F)c(-c4ccc(F)cc4)c3=O)CCc12 |r|
Show InChI InChI=1S/C29H23F3N2O4/c30-20-10-8-18(9-11-20)27-23(22-4-2-5-24(31)28(22)32)14-33-34(29(27)37)15-17-7-12-21-19(13-17)3-1-6-25(21)38-16-26(35)36/h1-6,8-11,14,17H,7,12-13,15-16H2,(H,35,36)/t17-/m1/s1
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Article
PubMed
n/an/an/an/a 200n/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))
BDBM50103396
PNG
(CHEMBL3398236)
Show SMILES OC(=O)COc1cccc2C[C@H](Cn3ncc(-c4cccc(F)c4F)c(-c4ccc(F)cc4)c3=O)CCc12 |r|
Show InChI InChI=1S/C29H23F3N2O4/c30-20-10-8-18(9-11-20)27-23(22-4-2-5-24(31)28(22)32)14-33-34(29(27)37)15-17-7-12-21-19(13-17)3-1-6-25(21)38-16-26(35)36/h1-6,8-11,14,17H,7,12-13,15-16H2,(H,35,36)/t17-/m1/s1
PDB

NCI pathway
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KEGG

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6n/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