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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for entry = 50010473   
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))
BDBM50095202
PNG
(4-[2-Hydroxy-3-((E)-3-hydroxy-4-methyl-oct-1-en-6-...)
Show SMILES CC#CCC(C)[C@H](O)\C=C\[C@H]1[C@H](O)CC2Oc3c(cccc3CCCC([O-])=O)[C@H]12
Show InChI InChI=1S/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28)/p-1/b13-12+/t15?,17-,19+,20+,21?,23-/m0/s1
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PC cid
PC sid
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Similars

PubMed
80n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Tested for inhibition of 3[H]-iloprost binding to human IP receptor


Bioorg Med Chem Lett 10: 2787-90 (2000)


BindingDB Entry DOI: 10.7270/Q26972TT
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50095203
PNG
(CHEMBL94751 | [(S)-6-(3-Benzhydryl-6-oxo-6H-pyrida...)
Show SMILES OC(=O)COc1cccc2C[C@@H](Cn3nc(ccc3=O)C(c3ccccc3)c3ccccc3)CCc12
Show InChI InChI=1S/C30H28N2O4/c33-28-17-16-26(30(22-8-3-1-4-9-22)23-10-5-2-6-11-23)31-32(28)19-21-14-15-25-24(18-21)12-7-13-27(25)36-20-29(34)35/h1-13,16-17,21,30H,14-15,18-20H2,(H,34,35)/t21-/m0/s1
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PC cid
PC sid
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PubMed
94n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Tested for inhibition of 3[H]-iloprost binding to human IP receptor


Bioorg Med Chem Lett 10: 2787-90 (2000)


BindingDB Entry DOI: 10.7270/Q26972TT
More data for this
Ligand-Target Pair