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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostacyclin receptor' and Ligand = 'BDBM50235381'   
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))
BDBM50235381
PNG
(CHEMBL3896580)
Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(O)cc2)c2ccc(Cl)cc2)CC1 |r,wU:6.5,wD:9.9,(31.69,-34.44,;30.36,-35.21,;30.36,-36.75,;29.02,-34.44,;29.02,-32.9,;27.69,-32.13,;26.36,-32.9,;26.36,-34.44,;25.02,-35.21,;23.69,-34.44,;22.36,-35.21,;21.02,-34.44,;19.69,-35.21,;19.69,-36.75,;18.35,-34.44,;17.02,-35.21,;17.02,-36.75,;15.69,-37.52,;14.35,-36.75,;13.02,-37.52,;14.35,-35.21,;15.69,-34.44,;18.35,-32.9,;17.02,-32.13,;17.02,-30.59,;18.35,-29.82,;18.35,-28.28,;19.69,-30.59,;19.69,-32.13,;23.69,-32.9,;25.02,-32.13,)|
Show InChI InChI=1S/C23H26ClNO6/c24-18-5-7-19(8-6-18)25(20-9-11-21(26)12-10-20)23(29)31-14-17-3-1-16(2-4-17)13-30-15-22(27)28/h5-12,16-17,26H,1-4,13-15H2,(H,27,28)/t16-,17-
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Similars

Article
PubMed
n/an/an/an/a 25n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human IP receptor expressed in CHO-K1 cells assessed as increase in intracellular cAMP level after 1 hr incubation by...


J Med Chem 60: 913-927 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00871
BindingDB Entry DOI: 10.7270/Q2VX0JSM
More data for this
Ligand-Target Pair