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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostacyclin receptor' and Ligand = 'BDBM50223856'   
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))
BDBM50223856
PNG
(CHEMBL9558)
Show SMILES CC(C)(C)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 |t:14|
Show InChI InChI=1S/C19H23N3S/c1-19(2,3)14-4-8-16(9-5-14)23-17-10-6-15(7-11-17)22-18-20-12-13-21-18/h4-11H,12-13H2,1-3H3,(H2,20,21,22)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
398n/an/an/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity towards prostacyclin receptor on rat NG-108-15 neuroblastoma cells, using [3H]iloprost as a radioligand


Bioorg Med Chem Lett 14: 1053-6 (2004)


BindingDB Entry DOI: 10.7270/Q2M90BVN
More data for this
Ligand-Target Pair