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BDBM50167892 CHEMBL195456::{(S)-6-[(Diphenylcarbamoyloxy)-methyl]-5,6-dihydroxy-5,6,7,8-tetrahydro-naphthalen-1-yloxy}-acetic acid

SMILES: O[C@@H]1c2cccc(OCC(O)=O)c2CC[C@]1(O)COC(=O)N(c1ccccc1)c1ccccc1

InChI Key: InChIKey=IJQVCFYGSGMSPC-RSXGOPAZSA-N

Data: 5 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50167892   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50167892
PNG
(CHEMBL195456 | {(S)-6-[(Diphenylcarbamoyloxy)-meth...)
Show SMILES O[C@@H]1c2cccc(OCC(O)=O)c2CC[C@]1(O)COC(=O)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H25NO7/c28-23(29)16-33-22-13-7-12-21-20(22)14-15-26(32,24(21)30)17-34-25(31)27(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,24,30,32H,14-17H2,(H,28,29)/t24-,26+/m1/s1
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PubMed
110n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]iloprost from human Prostanoid IP receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50167892
PNG
(CHEMBL195456 | {(S)-6-[(Diphenylcarbamoyloxy)-meth...)
Show SMILES O[C@@H]1c2cccc(OCC(O)=O)c2CC[C@]1(O)COC(=O)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H25NO7/c28-23(29)16-33-22-13-7-12-21-20(22)14-15-26(32,24(21)30)17-34-25(31)27(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,24,30,32H,14-17H2,(H,28,29)/t24-,26+/m1/s1
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Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE-2 from human Prostanoid EP1 receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50167892
PNG
(CHEMBL195456 | {(S)-6-[(Diphenylcarbamoyloxy)-meth...)
Show SMILES O[C@@H]1c2cccc(OCC(O)=O)c2CC[C@]1(O)COC(=O)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H25NO7/c28-23(29)16-33-22-13-7-12-21-20(22)14-15-26(32,24(21)30)17-34-25(31)27(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,24,30,32H,14-17H2,(H,28,29)/t24-,26+/m1/s1
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PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE-2 from human Prostanoid EP2 receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50167892
PNG
(CHEMBL195456 | {(S)-6-[(Diphenylcarbamoyloxy)-meth...)
Show SMILES O[C@@H]1c2cccc(OCC(O)=O)c2CC[C@]1(O)COC(=O)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H25NO7/c28-23(29)16-33-22-13-7-12-21-20(22)14-15-26(32,24(21)30)17-34-25(31)27(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,24,30,32H,14-17H2,(H,28,29)/t24-,26+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE-2 from human Prostanoid EP3 receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50167892
PNG
(CHEMBL195456 | {(S)-6-[(Diphenylcarbamoyloxy)-meth...)
Show SMILES O[C@@H]1c2cccc(OCC(O)=O)c2CC[C@]1(O)COC(=O)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H25NO7/c28-23(29)16-33-22-13-7-12-21-20(22)14-15-26(32,24(21)30)17-34-25(31)27(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,24,30,32H,14-17H2,(H,28,29)/t24-,26+/m1/s1
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE-2 from human Prostanoid EP4 receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair