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Compile Data Set for Download or QSAR

Found 253 hits with Last Name = 'billot' and Initial = 'x'   
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50259267
PNG
(CHEMBL4099779)
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0.5n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50325744
PNG
(CHEMBL1223683 | N-(4-(4-(2,3-dichlorophenyl)pipera...)
Show SMILES Clc1cccc(N2CCN(CCCCNc3ccc4ccccc4n3)CC2)c1Cl
Show InChI InChI=1S/C23H26Cl2N4/c24-19-7-5-9-21(23(19)25)29-16-14-28(15-17-29)13-4-3-12-26-22-11-10-18-6-1-2-8-20(18)27-22/h1-2,5-11H,3-4,12-17H2,(H,26,27)
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0.600n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50325748
PNG
(CHEMBL1223750 | N-(4-(4-(3-(trifluoromethyl)phenyl...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCNc2nccc3ccccc23)CC1
Show InChI InChI=1S/C24H27F3N4/c25-24(26,27)20-7-5-8-21(18-20)31-16-14-30(15-17-31)13-4-3-11-28-23-22-9-2-1-6-19(22)10-12-29-23/h1-2,5-10,12,18H,3-4,11,13-17H2,(H,28,29)
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1n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50325746
PNG
(CHEMBL1223748 | N-(4-(4-(2-methoxyphenyl)piperazin...)
Show SMILES COc1ccccc1N1CCN(CCCCNc2nccc3ccccc23)CC1
Show InChI InChI=1S/C24H30N4O/c1-29-23-11-5-4-10-22(23)28-18-16-27(17-19-28)15-7-6-13-25-24-21-9-3-2-8-20(21)12-14-26-24/h2-5,8-12,14H,6-7,13,15-19H2,1H3,(H,25,26)
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1n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50125405
PNG
((R)-5-((E)-(S)-3-Hydroxy-4-phenyl-but-1-enyl)-1-[6...)
Show SMILES O[C@@H](Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCCCc1nnn[nH]1
Show InChI InChI=1S/C21H29N5O2/c27-19(16-17-8-4-3-5-9-17)13-11-18-12-14-21(28)26(18)15-7-2-1-6-10-20-22-24-25-23-20/h3-5,8-9,11,13,18-19,27H,1-2,6-7,10,12,14-16H2,(H,22,23,24,25)/b13-11+/t18-,19+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT3 receptor of NG108-15 cells using [3H]-GR-65,630


Bioorg Med Chem Lett 13: 1129-32 (2003)


BindingDB Entry DOI: 10.7270/Q25T3M1G
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50121205
PNG
(CHEBI:18295 | HISTAMINE | Histamine)
Show SMILES NCCc1c[nH]cn1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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1.60n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Binding affinity to histamine H4 receptor (unknown origin)


Bioorg Med Chem Lett 26: 5263-5266 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.049
BindingDB Entry DOI: 10.7270/Q2Q52RMS
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50125411
PNG
((R)-5-((E)-(R)-3-Hydroxy-4-phenyl-but-1-enyl)-1-[6...)
Show SMILES O[C@H](Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCCCc1nnn[nH]1
Show InChI InChI=1S/C21H29N5O2/c27-19(16-17-8-4-3-5-9-17)13-11-18-12-14-21(28)26(18)15-7-2-1-6-10-20-22-24-25-23-20/h3-5,8-9,11,13,18-19,27H,1-2,6-7,10,12,14-16H2,(H,22,23,24,25)/b13-11+/t18-,19-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity towards IP receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs


Bioorg Med Chem Lett 13: 1129-32 (2003)


BindingDB Entry DOI: 10.7270/Q25T3M1G
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50125417
PNG
(7-[(R)-2-((E)-3-Hydroxy-4-phenyl-but-1-enyl)-5-oxo...)
Show SMILES OC(Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C21H29NO4/c23-19(16-17-8-4-3-5-9-17)13-11-18-12-14-20(24)22(18)15-7-2-1-6-10-21(25)26/h3-5,8-9,11,13,18-19,23H,1-2,6-7,10,12,14-16H2,(H,25,26)/b13-11+/t18-,19?/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity towards EP4 receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs


Bioorg Med Chem Lett 13: 1129-32 (2003)


BindingDB Entry DOI: 10.7270/Q25T3M1G
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50259291
PNG
(CHEMBL4102970)
Show InChI InChI=1/C19H19N3O3/c23-22(24)18-10-4-8-16(12-18)19(15-6-2-1-3-7-15)25-11-5-9-17-13-20-14-21-17/h1-4,6-8,10,12-14,19H,5,9,11H2,(H,20,21)
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2.70n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50259291
PNG
(CHEMBL4102970)
Show InChI InChI=1/C19H19N3O3/c23-22(24)18-10-4-8-16(12-18)19(15-6-2-1-3-7-15)25-11-5-9-17-13-20-14-21-17/h1-4,6-8,10,12-14,19H,5,9,11H2,(H,20,21)
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2.70n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50259290
PNG
(CHEMBL4078910)
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2.80n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50259257
PNG
(CHEMBL4065099)
Show InChI InChI=1/C19H19IN2O/c20-17-10-8-16(9-11-17)19(15-5-2-1-3-6-15)23-12-4-7-18-13-21-14-22-18/h1-3,5-6,8-11,13-14,19H,4,7,12H2,(H,21,22)
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3n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50259257
PNG
(CHEMBL4065099)
Show InChI InChI=1/C19H19IN2O/c20-17-10-8-16(9-11-17)19(15-5-2-1-3-6-15)23-12-4-7-18-13-21-14-22-18/h1-3,5-6,8-11,13-14,19H,4,7,12H2,(H,21,22)
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3n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50325747
PNG
(CHEMBL1223749 | N-(4-(4-(2,3-dichlorophenyl)pipera...)
Show SMILES Clc1cccc(N2CCN(CCCCNc3nccc4ccccc34)CC2)c1Cl
Show InChI InChI=1S/C23H26Cl2N4/c24-20-8-5-9-21(22(20)25)29-16-14-28(15-17-29)13-4-3-11-26-23-19-7-2-1-6-18(19)10-12-27-23/h1-2,5-10,12H,3-4,11,13-17H2,(H,26,27)
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3.10n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50125416
PNG
(7-{(R)-2-[(E)-3-Hydroxy-4-(3-methoxymethyl-phenyl)...)
Show SMILES COCc1cccc(CC(O)\C=C\[C@H]2CCC(=O)N2CCCCCCC(O)=O)c1
Show InChI InChI=1S/C23H33NO5/c1-29-17-19-8-6-7-18(15-19)16-21(25)12-10-20-11-13-22(26)24(20)14-5-3-2-4-9-23(27)28/h6-8,10,12,15,20-21,25H,2-5,9,11,13-14,16-17H2,1H3,(H,27,28)/b12-10+/t20-,21?/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity towards EP4 receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs


Bioorg Med Chem Lett 13: 1129-32 (2003)


BindingDB Entry DOI: 10.7270/Q25T3M1G
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50259258
PNG
(CHEMBL4098585)
Show InChI InChI=1/C23H21BrN2O/c24-21-11-9-18(10-12-21)23(27-13-3-6-22-15-25-16-26-22)20-8-7-17-4-1-2-5-19(17)14-20/h1-2,4-5,7-12,14-16,23H,3,6,13H2,(H,25,26)
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4n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50259258
PNG
(CHEMBL4098585)
Show InChI InChI=1/C23H21BrN2O/c24-21-11-9-18(10-12-21)23(27-13-3-6-22-15-25-16-26-22)20-8-7-17-4-1-2-5-19(17)14-20/h1-2,4-5,7-12,14-16,23H,3,6,13H2,(H,25,26)
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4n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50259268
PNG
(CHEMBL4084820)
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4.80n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50325747
PNG
(CHEMBL1223749 | N-(4-(4-(2,3-dichlorophenyl)pipera...)
Show SMILES Clc1cccc(N2CCN(CCCCNc3nccc4ccccc34)CC2)c1Cl
Show InChI InChI=1S/C23H26Cl2N4/c24-20-8-5-9-21(22(20)25)29-16-14-28(15-17-29)13-4-3-11-26-23-19-7-2-1-6-18(19)10-12-27-23/h1-2,5-10,12H,3-4,11,13-17H2,(H,26,27)
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5.20n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50325747
PNG
(CHEMBL1223749 | N-(4-(4-(2,3-dichlorophenyl)pipera...)
Show SMILES Clc1cccc(N2CCN(CCCCNc3nccc4ccccc34)CC2)c1Cl
Show InChI InChI=1S/C23H26Cl2N4/c24-20-8-5-9-21(22(20)25)29-16-14-28(15-17-29)13-4-3-11-26-23-19-7-2-1-6-18(19)10-12-27-23/h1-2,5-10,12H,3-4,11,13-17H2,(H,26,27)
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5.20n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50325748
PNG
(CHEMBL1223750 | N-(4-(4-(3-(trifluoromethyl)phenyl...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCNc2nccc3ccccc23)CC1
Show InChI InChI=1S/C24H27F3N4/c25-24(26,27)20-7-5-8-21(18-20)31-16-14-30(15-17-31)13-4-3-11-28-23-22-9-2-1-6-19(22)10-12-29-23/h1-2,5-10,12,18H,3-4,11,13-17H2,(H,28,29)
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5.40n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50325748
PNG
(CHEMBL1223750 | N-(4-(4-(3-(trifluoromethyl)phenyl...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCNc2nccc3ccccc23)CC1
Show InChI InChI=1S/C24H27F3N4/c25-24(26,27)20-7-5-8-21(18-20)31-16-14-30(15-17-31)13-4-3-11-28-23-22-9-2-1-6-19(22)10-12-29-23/h1-2,5-10,12,18H,3-4,11,13-17H2,(H,28,29)
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5.40n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50125401
PNG
(7-[(R)-2-((E)-3-Hydroxy-oct-1-enyl)-5-oxo-pyrrolid...)
Show SMILES CCCCCC(O)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C19H33NO4/c1-2-3-6-9-17(21)13-11-16-12-14-18(22)20(16)15-8-5-4-7-10-19(23)24/h11,13,16-17,21H,2-10,12,14-15H2,1H3,(H,23,24)/b13-11+/t16-,17?/m0/s1
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6n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity towards EP4 receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs


Bioorg Med Chem Lett 13: 1129-32 (2003)


BindingDB Entry DOI: 10.7270/Q25T3M1G
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50259293
PNG
(CHEMBL4063170)
Show InChI InChI=1S/C21H20N2O2/c24-21(13-8-17-5-2-1-3-6-17)18-9-11-20(12-10-18)25-14-4-7-19-15-22-16-23-19/h1-3,5-6,8-13,15-16H,4,7,14H2,(H,22,23)/b13-8+
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8.30n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50259291
PNG
(CHEMBL4102970)
Show InChI InChI=1/C19H19N3O3/c23-22(24)18-10-4-8-16(12-18)19(15-6-2-1-3-7-15)25-11-5-9-17-13-20-14-21-17/h1-4,6-8,10,12-14,19H,5,9,11H2,(H,20,21)
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9.60n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50325744
PNG
(CHEMBL1223683 | N-(4-(4-(2,3-dichlorophenyl)pipera...)
Show SMILES Clc1cccc(N2CCN(CCCCNc3ccc4ccccc4n3)CC2)c1Cl
Show InChI InChI=1S/C23H26Cl2N4/c24-19-7-5-9-21(23(19)25)29-16-14-28(15-17-29)13-4-3-12-26-22-11-10-18-6-1-2-8-20(18)27-22/h1-2,5-11H,3-4,12-17H2,(H,26,27)
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10n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50259293
PNG
(CHEMBL4063170)
Show InChI InChI=1S/C21H20N2O2/c24-21(13-8-17-5-2-1-3-6-17)18-9-11-20(12-10-18)25-14-4-7-19-15-22-16-23-19/h1-3,5-6,8-13,15-16H,4,7,14H2,(H,22,23)/b13-8+
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11n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50259293
PNG
(CHEMBL4063170)
Show InChI InChI=1S/C21H20N2O2/c24-21(13-8-17-5-2-1-3-6-17)18-9-11-20(12-10-18)25-14-4-7-19-15-22-16-23-19/h1-3,5-6,8-13,15-16H,4,7,14H2,(H,22,23)/b13-8+
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11n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50125409
PNG
(7-{(R)-2-[(E)-3-Hydroxy-3-(1-phenyl-cyclopropyl)-p...)
Show SMILES OC(\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O)C1(CC1)c1ccccc1
Show InChI InChI=1S/C23H31NO4/c25-20(23(15-16-23)18-8-4-3-5-9-18)13-11-19-12-14-21(26)24(19)17-7-2-1-6-10-22(27)28/h3-5,8-9,11,13,19-20,25H,1-2,6-7,10,12,14-17H2,(H,27,28)/b13-11+/t19-,20?/m0/s1
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12n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity towards EP4 receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs


Bioorg Med Chem Lett 13: 1129-32 (2003)


BindingDB Entry DOI: 10.7270/Q25T3M1G
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50125399
PNG
(CHEMBL430124 | {4-[(R)-2-((E)-3-Hydroxy-4-phenyl-b...)
Show SMILES OC(Cc1ccccc1)\C=C\[C@H]1CCC(=O)N1CCCCSCC(O)=O
Show InChI InChI=1S/C20H27NO4S/c22-18(14-16-6-2-1-3-7-16)10-8-17-9-11-19(23)21(17)12-4-5-13-26-15-20(24)25/h1-3,6-8,10,17-18,22H,4-5,9,11-15H2,(H,24,25)/b10-8+/t17-,18?/m0/s1
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13n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity towards EP4 receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs


Bioorg Med Chem Lett 13: 1129-32 (2003)


BindingDB Entry DOI: 10.7270/Q25T3M1G
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50121205
PNG
(CHEBI:18295 | HISTAMINE | Histamine)
Show SMILES NCCc1c[nH]cn1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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13n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor (unknown origin)


Bioorg Med Chem Lett 26: 5263-5266 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.049
BindingDB Entry DOI: 10.7270/Q2Q52RMS
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50259257
PNG
(CHEMBL4065099)
Show InChI InChI=1/C19H19IN2O/c20-17-10-8-16(9-11-17)19(15-5-2-1-3-6-15)23-12-4-7-18-13-21-14-22-18/h1-3,5-6,8-11,13-14,19H,4,7,12H2,(H,21,22)
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14n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50259249
PNG
(CHEMBL4095224)
Show InChI InChI=1S/C20H19Cl2N3O2/c21-16-7-3-14(4-8-16)19(15-5-9-17(22)10-6-15)25-20(26)27-11-1-2-18-12-23-13-24-18/h3-10,12-13,19H,1-2,11H2,(H,23,24)(H,25,26)
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14n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50259249
PNG
(CHEMBL4095224)
Show InChI InChI=1S/C20H19Cl2N3O2/c21-16-7-3-14(4-8-16)19(15-5-9-17(22)10-6-15)25-20(26)27-11-1-2-18-12-23-13-24-18/h3-10,12-13,19H,1-2,11H2,(H,23,24)(H,25,26)
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15n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50198913
PNG
(CHEMBL1179089)
Show SMILES C(COC(c1ccccc1)c1ccccc1)Cc1c[nH]cn1
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17n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human H3 receptor expressed in HEK293 cell membranes after 1 hr


Bioorg Med Chem Lett 26: 5263-5266 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.049
BindingDB Entry DOI: 10.7270/Q2Q52RMS
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50198913
PNG
(CHEMBL1179089)
Show SMILES C(COC(c1ccccc1)c1ccccc1)Cc1c[nH]cn1
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17n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 26: 5263-5266 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.049
BindingDB Entry DOI: 10.7270/Q2Q52RMS
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50259265
PNG
(CHEMBL4082297)
Show InChI InChI=1S/C20H21N3O2/c1-20(2,18-11-21-13-23-18)12-22-19(14-7-3-5-9-16(14)24)15-8-4-6-10-17(15)25/h3-11,13,24-25H,12H2,1-2H3,(H,21,23)
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19n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50259265
PNG
(CHEMBL4082297)
Show InChI InChI=1S/C20H21N3O2/c1-20(2,18-11-21-13-23-18)12-22-19(14-7-3-5-9-16(14)24)15-8-4-6-10-17(15)25/h3-11,13,24-25H,12H2,1-2H3,(H,21,23)
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19n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50259250
PNG
(CHEMBL4062122)
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22n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50198913
PNG
(CHEMBL1179089)
Show SMILES C(COC(c1ccccc1)c1ccccc1)Cc1c[nH]cn1
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24n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50198913
PNG
(CHEMBL1179089)
Show SMILES C(COC(c1ccccc1)c1ccccc1)Cc1c[nH]cn1
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25n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50198913
PNG
(CHEMBL1179089)
Show SMILES C(COC(c1ccccc1)c1ccccc1)Cc1c[nH]cn1
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25n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50259264
PNG
(CHEMBL4100315)
Show InChI InChI=1S/C21H24N2O/c1-2-7-19(8-3-1)20-12-10-18(11-13-20)6-4-14-24-15-5-9-21-16-22-17-23-21/h1-3,7-8,10-13,16-17H,4-6,9,14-15H2,(H,22,23)
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27n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50259264
PNG
(CHEMBL4100315)
Show InChI InChI=1S/C21H24N2O/c1-2-7-19(8-3-1)20-12-10-18(11-13-20)6-4-14-24-15-5-9-21-16-22-17-23-21/h1-3,7-8,10-13,16-17H,4-6,9,14-15H2,(H,22,23)
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27n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50125415
PNG
(7-[(S)-2-(3-Hydroxy-octyl)-5-oxo-pyrrolidin-1-yl]-...)
Show SMILES CCCCCC(O)CC[C@H]1CCC(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C19H35NO4/c1-2-3-6-9-17(21)13-11-16-12-14-18(22)20(16)15-8-5-4-7-10-19(23)24/h16-17,21H,2-15H2,1H3,(H,23,24)/t16-,17?/m0/s1
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28n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity towards EP4 receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs


Bioorg Med Chem Lett 13: 1129-32 (2003)


BindingDB Entry DOI: 10.7270/Q25T3M1G
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50325747
PNG
(CHEMBL1223749 | N-(4-(4-(2,3-dichlorophenyl)pipera...)
Show SMILES Clc1cccc(N2CCN(CCCCNc3nccc4ccccc34)CC2)c1Cl
Show InChI InChI=1S/C23H26Cl2N4/c24-20-8-5-9-21(22(20)25)29-16-14-28(15-17-29)13-4-3-11-26-23-19-7-2-1-6-18(19)10-12-27-23/h1-2,5-10,12H,3-4,11,13-17H2,(H,26,27)
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30n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50198914
PNG
(CHEMBL3911109)
Show SMILES C(COC(c1nc2ccccc2s1)c1ccccc1)Cc1c[nH]cn1
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34n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human H3 receptor expressed in HEK293 cell membranes after 1 hr


Bioorg Med Chem Lett 26: 5263-5266 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.049
BindingDB Entry DOI: 10.7270/Q2Q52RMS
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50125403
PNG
(7-[2-(3-Hydroxy-octyl)-5-oxo-pyrrolidin-1-yl]-hept...)
Show SMILES CCCCCC(O)CCC1CCC(=O)N1CCCCCCC(O)=O
Show InChI InChI=1S/C19H35NO4/c1-2-3-6-9-17(21)13-11-16-12-14-18(22)20(16)15-8-5-4-7-10-19(23)24/h16-17,21H,2-15H2,1H3,(H,23,24)
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35n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity towards EP4 receptor expressed in HEK293 ebna cells recombinantly expressing the corresponding human prostanoid cDNAs


Bioorg Med Chem Lett 13: 1129-32 (2003)


BindingDB Entry DOI: 10.7270/Q25T3M1G
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50050165
PNG
(4-(4-Iodo-phenyl)-butyric acid 3-(1H-imidazol-4-yl...)
Show SMILES Ic1ccc(CCCC(=O)OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C16H19IN2O2/c17-14-8-6-13(7-9-14)3-1-5-16(20)21-10-2-4-15-11-18-12-19-15/h6-9,11-12H,1-5,10H2,(H,18,19)
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41n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50259258
PNG
(CHEMBL4098585)
Show InChI InChI=1/C23H21BrN2O/c24-21-11-9-18(10-12-21)23(27-13-3-6-22-15-25-16-26-22)20-8-7-17-4-1-2-5-19(17)14-20/h1-2,4-5,7-12,14-16,23H,3,6,13H2,(H,25,26)
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47n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL




Eur J Med Chem 125: 565-572 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.074
More data for this
Ligand-Target Pair
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