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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostacyclin receptor' and Ligand = 'BDBM50163296'   
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))
BDBM50163296
PNG
(CHEMBL3793911)
Show SMILES Cc1ccc(cc1)N(CCN1CCC(CC1)OCC(O)=O)C(=O)c1ccccc1
Show InChI InChI=1S/C23H28N2O4/c1-18-7-9-20(10-8-18)25(23(28)19-5-3-2-4-6-19)16-15-24-13-11-21(12-14-24)29-17-22(26)27/h2-10,21H,11-17H2,1H3,(H,26,27)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
990n/an/an/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human IP receptor by competitive binding assay


Bioorg Med Chem Lett 26: 2360-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.009
BindingDB Entry DOI: 10.7270/Q2Q52RJW
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50163296
PNG
(CHEMBL3793911)
Show SMILES Cc1ccc(cc1)N(CCN1CCC(CC1)OCC(O)=O)C(=O)c1ccccc1
Show InChI InChI=1S/C23H28N2O4/c1-18-7-9-20(10-8-18)25(23(28)19-5-3-2-4-6-19)16-15-24-13-11-21(12-14-24)29-17-22(26)27/h2-10,21H,11-17H2,1H3,(H,26,27)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human IP receptor in platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation preincubated for 1 min follo...


Bioorg Med Chem Lett 26: 2360-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.009
BindingDB Entry DOI: 10.7270/Q2Q52RJW
More data for this
Ligand-Target Pair