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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostacyclin receptor' and Ligand = 'BDBM50351480'   
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))
BDBM50351480
PNG
(CHEMBL1819608)
Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(O)=O)c3)c(C)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C26H26N2O5/c1-17-12-20(32-16-21-15-28(2)23-8-3-4-9-24(23)33-21)10-11-22(17)26(31)27-19-7-5-6-18(13-19)14-25(29)30/h3-13,21H,14-16H2,1-2H3,(H,27,31)(H,29,30)/t21-/m0/s1
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Article
PubMed
3.60E+3n/an/an/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting


Bioorg Med Chem 19: 6935-48 (2011)


Article DOI: 10.1016/j.bmc.2011.08.065
BindingDB Entry DOI: 10.7270/Q2K35V22
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50351480
PNG
(CHEMBL1819608)
Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(O)=O)c3)c(C)c2)Oc2ccccc12 |r|
Show InChI InChI=1S/C26H26N2O5/c1-17-12-20(32-16-21-15-28(2)23-8-3-4-9-24(23)33-21)10-11-22(17)26(31)27-19-7-5-6-18(13-19)14-25(29)30/h3-13,21H,14-16H2,1-2H3,(H,27,31)(H,29,30)/t21-/m0/s1
PDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.60E+3n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 60 mins by liquid scintillation counting


Bioorg Med Chem 19: 5361-71 (2011)


Article DOI: 10.1016/j.bmc.2011.08.007
BindingDB Entry DOI: 10.7270/Q2X067DJ
More data for this
Ligand-Target Pair