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Compile Data Set for Download or QSAR

Found 191 hits with Last Name = 'guillot' and Initial = 'e'   
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
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM50434389
PNG
(CHEMBL2387288)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)NCc2cccs2)cc1
Show InChI InChI=1S/C21H28N4OS/c1-16-4-2-11-25(16)19-10-12-24(15-19)18-8-6-17(7-9-18)23-21(26)22-14-20-5-3-13-27-20/h3,5-9,13,16,19H,2,4,10-12,14-15H2,1H3,(H2,22,23,26)
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1.90n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...


Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM50437067
PNG
(CHEMBL2403550)
Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r|
Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant rhesus monkey histamine H3 receptor transfected in CHO cell membranes after 1 hr by scin...


Bioorg Med Chem Lett 23: 4044-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50437067
PNG
(CHEMBL2403550)
Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r|
Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21-/m0/s1
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3n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant rat histamine H3 receptor transfected in CHO cell membranes after 1 hr by scintillation ...


Bioorg Med Chem Lett 23: 4044-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM50434405
PNG
(CHEMBL2387306)
Show SMILES Clc1cc(Cl)cc(NC(=O)Nc2ccc(OCCCN3CCCCC3)cc2)c1
Show InChI InChI=1S/C21H25Cl2N3O2/c22-16-13-17(23)15-19(14-16)25-21(27)24-18-5-7-20(8-6-18)28-12-4-11-26-9-2-1-3-10-26/h5-8,13-15H,1-4,9-12H2,(H2,24,25,27)
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3.40n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...


Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM50434382
PNG
(CHEMBL2387309)
Show SMILES Fc1ccc(NC(=O)Nc2ccc(OCCCN3CCCCC3)cc2)c(F)c1
Show InChI InChI=1S/C21H25F2N3O2/c22-16-5-10-20(19(23)15-16)25-21(27)24-17-6-8-18(9-7-17)28-14-4-13-26-11-2-1-3-12-26/h5-10,15H,1-4,11-14H2,(H2,24,25,27)
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3.40n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...


Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM50434401
PNG
(CHEMBL2387314)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)NC2CCCCC2)cc1
Show InChI InChI=1S/C22H34N4O/c1-17-6-5-14-26(17)21-13-15-25(16-21)20-11-9-19(10-12-20)24-22(27)23-18-7-3-2-4-8-18/h9-12,17-18,21H,2-8,13-16H2,1H3,(H2,23,24,27)
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4.10n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...


Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM50434400
PNG
(CHEMBL2387315)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)NC2CCCCC2)c(C)c1
Show InChI InChI=1S/C23H36N4O/c1-17-15-20(26-14-12-21(16-26)27-13-6-7-18(27)2)10-11-22(17)25-23(28)24-19-8-4-3-5-9-19/h10-11,15,18-19,21H,3-9,12-14,16H2,1-2H3,(H2,24,25,28)
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4.60n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...


Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM50434392
PNG
(CHEMBL2387285)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C21H32N4O/c1-17-6-5-14-25(17)20-11-15-24(16-20)19-9-7-18(8-10-19)22-21(26)23-12-3-2-4-13-23/h7-10,17,20H,2-6,11-16H2,1H3,(H,22,26)
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6n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...


Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM50434387
PNG
(CHEMBL2387290)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C23H28Cl2N4O/c1-16-3-2-9-29(16)22-8-10-28(15-22)21-6-4-20(5-7-21)27-23(30)26-14-17-11-18(24)13-19(25)12-17/h4-7,11-13,16,22H,2-3,8-10,14-15H2,1H3,(H2,26,27,30)
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7.10n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...


Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM50437068
PNG
(CHEMBL2403549)
Show SMILES C[C@H]1CCCN1[C@@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r|
Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21+/m0/s1
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7.30n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant rhesus monkey histamine H3 receptor transfected in CHO cell membranes after 1 hr by scin...


Bioorg Med Chem Lett 23: 4044-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM50434388
PNG
(CHEMBL2387289)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)NCc2cccs2)cc1C
Show InChI InChI=1S/C22H30N4OS/c1-16-13-18(24-22(27)23-14-20-6-4-12-28-20)7-8-21(16)25-11-9-19(15-25)26-10-3-5-17(26)2/h4,6-8,12-13,17,19H,3,5,9-11,14-15H2,1-2H3,(H2,23,24,27)
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8.40n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...


Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50437068
PNG
(CHEMBL2403549)
Show SMILES C[C@H]1CCCN1[C@@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r|
Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21+/m0/s1
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11n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant rat histamine H3 receptor transfected in CHO cell membranes after 1 hr by scintillation ...


Bioorg Med Chem Lett 23: 4044-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM50434393
PNG
(CHEMBL2387284)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)N2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C26H35N5O/c1-21-6-5-14-31(21)25-13-15-30(20-25)24-11-9-22(10-12-24)27-26(32)29-18-16-28(17-19-29)23-7-3-2-4-8-23/h2-4,7-12,21,25H,5-6,13-20H2,1H3,(H,27,32)
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11n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...


Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM50434399
PNG
(CHEMBL2387316)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)NC2CCCCC2)cc1C
Show InChI InChI=1S/C23H36N4O/c1-17-15-20(25-23(28)24-19-8-4-3-5-9-19)10-11-22(17)26-14-12-21(16-26)27-13-6-7-18(27)2/h10-11,15,18-19,21H,3-9,12-14,16H2,1-2H3,(H2,24,25,28)
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11n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...


Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM50434397
PNG
(CHEMBL2387318)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)N2CCN(C)CC2)c(C)c1
Show InChI InChI=1S/C22H35N5O/c1-17-15-19(26-10-8-20(16-26)27-9-4-5-18(27)2)6-7-21(17)23-22(28)25-13-11-24(3)12-14-25/h6-7,15,18,20H,4-5,8-14,16H2,1-3H3,(H,23,28)
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11n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...


Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM50434396
PNG
(CHEMBL2387319)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)N2CCN(C)CC2)cc1C
Show InChI InChI=1S/C22H35N5O/c1-17-15-19(23-22(28)25-13-11-24(3)12-14-25)6-7-21(17)26-10-8-20(16-26)27-9-4-5-18(27)2/h6-7,15,18,20H,4-5,8-14,16H2,1-3H3,(H,23,28)
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13n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...


Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM50434381
PNG
(CHEMBL2387310)
Show SMILES CCN(CC)CCOc1ccc(NC(=S)Nc2ccc(OCC(C)C)cc2)cc1
Show InChI InChI=1S/C23H33N3O2S/c1-5-26(6-2)15-16-27-21-11-7-19(8-12-21)24-23(29)25-20-9-13-22(14-10-20)28-17-18(3)4/h7-14,18H,5-6,15-17H2,1-4H3,(H2,24,25,29)
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16n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...


Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50435303
PNG
(CHEMBL2391167)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1
Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)
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17n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from rat histamine H3 receptor


Bioorg Med Chem Lett 23: 3421-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.081
BindingDB Entry DOI: 10.7270/Q2HH6MGF
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM50434383
PNG
(CHEMBL2387307)
Show SMILES Cc1c(Cl)cc(NC(=O)Nc2ccc(OCCCN3CCCCC3)cc2)cc1Cl
Show InChI InChI=1S/C22H27Cl2N3O2/c1-16-20(23)14-18(15-21(16)24)26-22(28)25-17-6-8-19(9-7-17)29-13-5-12-27-10-3-2-4-11-27/h6-9,14-15H,2-5,10-13H2,1H3,(H2,25,26,28)
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18n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...


Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM50434404
PNG
(CHEMBL2387311)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C22H26Cl2N4O/c1-15-3-2-9-28(15)21-8-10-27(14-21)20-6-4-18(5-7-20)25-22(29)26-19-12-16(23)11-17(24)13-19/h4-7,11-13,15,21H,2-3,8-10,14H2,1H3,(H2,25,26,29)
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19n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...


Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM50434403
PNG
(CHEMBL2387312)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c1
Show InChI InChI=1S/C23H28Cl2N4O/c1-15-10-20(28-9-7-21(14-28)29-8-3-4-16(29)2)5-6-22(15)27-23(30)26-19-12-17(24)11-18(25)13-19/h5-6,10-13,16,21H,3-4,7-9,14H2,1-2H3,(H2,26,27,30)
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22n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...


Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM50434394
PNG
(CHEMBL2387283)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)N2CCN(CC2)C(C)=O)cc1C
Show InChI InChI=1S/C23H35N5O2/c1-17-15-20(24-23(30)26-13-11-25(12-14-26)19(3)29)6-7-22(17)27-10-8-21(16-27)28-9-4-5-18(28)2/h6-7,15,18,21H,4-5,8-14,16H2,1-3H3,(H,24,30)
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23n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...


Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM50434398
PNG
(CHEMBL2387317)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)N2CCN(C)CC2)cc1
Show InChI InChI=1S/C21H33N5O/c1-17-4-3-10-26(17)20-9-11-25(16-20)19-7-5-18(6-8-19)22-21(27)24-14-12-23(2)13-15-24/h5-8,17,20H,3-4,9-16H2,1-2H3,(H,22,27)
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26n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...


Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM50434386
PNG
(CHEMBL2387291)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2)cc1C
Show InChI InChI=1S/C24H30Cl2N4O/c1-16-10-21(28-24(31)27-14-18-11-19(25)13-20(26)12-18)5-6-23(16)29-9-7-22(15-29)30-8-3-4-17(30)2/h5-6,10-13,17,22H,3-4,7-9,14-15H2,1-2H3,(H2,27,28,31)
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29n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...


Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50434382
PNG
(CHEMBL2387309)
Show SMILES Fc1ccc(NC(=O)Nc2ccc(OCCCN3CCCCC3)cc2)c(F)c1
Show InChI InChI=1S/C21H25F2N3O2/c22-16-5-10-20(19(23)15-16)25-21(27)24-17-6-8-18(9-7-17)28-14-4-13-26-11-2-1-3-12-26/h5-10,15H,1-4,11-14H2,(H2,24,25,27)
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33n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rat histamine H3 receptor transfected in CHO cells after 1 hr by scintillation counting analy...


Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM50434395
PNG
(CHEMBL2387282)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)N2CCN(CC2)C(C)=O)cc1
Show InChI InChI=1S/C22H33N5O2/c1-17-4-3-10-27(17)21-9-11-26(16-21)20-7-5-19(6-8-20)23-22(29)25-14-12-24(13-15-25)18(2)28/h5-8,17,21H,3-4,9-16H2,1-2H3,(H,23,29)
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34n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...


Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM50434391
PNG
(CHEMBL2387286)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)N2CCC(C2)N(C)C(C)=O)cc1
Show InChI InChI=1S/C23H35N5O2/c1-17-5-4-12-28(17)22-11-13-26(16-22)20-8-6-19(7-9-20)24-23(30)27-14-10-21(15-27)25(3)18(2)29/h6-9,17,21-22H,4-5,10-16H2,1-3H3,(H,24,30)
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36n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...


Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50434381
PNG
(CHEMBL2387310)
Show SMILES CCN(CC)CCOc1ccc(NC(=S)Nc2ccc(OCC(C)C)cc2)cc1
Show InChI InChI=1S/C23H33N3O2S/c1-5-26(6-2)15-16-27-21-11-7-19(8-12-21)24-23(29)25-20-9-13-22(14-10-20)28-17-18(3)4/h7-14,18H,5-6,15-17H2,1-4H3,(H2,24,25,29)
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40n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rat histamine H3 receptor transfected in CHO cells after 1 hr by scintillation counting analy...


Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM50434402
PNG
(CHEMBL2387313)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1C
Show InChI InChI=1S/C23H28Cl2N4O/c1-15-10-19(26-23(30)27-20-12-17(24)11-18(25)13-20)5-6-22(15)28-9-7-21(14-28)29-8-3-4-16(29)2/h5-6,10-13,16,21H,3-4,7-9,14H2,1-2H3,(H2,26,27,30)
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43n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...


Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM50434385
PNG
(CHEMBL2387292)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C28H32N4O2/c1-21-6-5-18-32(21)25-17-19-31(20-25)24-13-9-22(10-14-24)29-28(33)30-23-11-15-27(16-12-23)34-26-7-3-2-4-8-26/h2-4,7-16,21,25H,5-6,17-20H2,1H3,(H2,29,30,33)
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47n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...


Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50435304
PNG
(CHEMBL2391166)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)c2ccccc2F)c(C)c1
Show InChI InChI=1S/C23H28FN3O/c1-16-14-18(26-13-11-19(15-26)27-12-5-6-17(27)2)9-10-22(16)25-23(28)20-7-3-4-8-21(20)24/h3-4,7-10,14,17,19H,5-6,11-13,15H2,1-2H3,(H,25,28)
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55n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from rat histamine H3 receptor


Bioorg Med Chem Lett 23: 3421-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.081
BindingDB Entry DOI: 10.7270/Q2HH6MGF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50437066
PNG
(CHEMBL2403551)
Show SMILES C[C@@H]1CCCN1[C@@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r|
Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21-/m1/s1
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74n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant rat histamine H3 receptor transfected in CHO cell membranes after 1 hr by scintillation ...


Bioorg Med Chem Lett 23: 4044-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM50434390
PNG
(CHEMBL2387287)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)N2CCC(C2)N(C)C(C)=O)cc1C
Show InChI InChI=1S/C24H37N5O2/c1-17-14-20(25-24(31)28-13-9-21(15-28)26(4)19(3)30)7-8-23(17)27-12-10-22(16-27)29-11-5-6-18(29)2/h7-8,14,18,21-22H,5-6,9-13,15-16H2,1-4H3,(H,25,31)
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90n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...


Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50437069
PNG
(CHEMBL2403548)
Show SMILES C[C@@H]1CCCN1[C@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r|
Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21+/m1/s1
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93n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant rat histamine H3 receptor transfected in CHO cell membranes after 1 hr by scintillation ...


Bioorg Med Chem Lett 23: 4044-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM50434384
PNG
(CHEMBL2387293)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C
Show InChI InChI=1S/C29H34N4O2/c1-21-19-24(12-15-28(21)32-18-16-25(20-32)33-17-6-7-22(33)2)31-29(34)30-23-10-13-27(14-11-23)35-26-8-4-3-5-9-26/h3-5,8-15,19,22,25H,6-7,16-18,20H2,1-2H3,(H2,30,31,34)
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115n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...


Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM50437069
PNG
(CHEMBL2403548)
Show SMILES C[C@@H]1CCCN1[C@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r|
Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21+/m1/s1
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121n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant rhesus monkey histamine H3 receptor transfected in CHO cell membranes after 1 hr by scin...


Bioorg Med Chem Lett 23: 4044-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50434383
PNG
(CHEMBL2387307)
Show SMILES Cc1c(Cl)cc(NC(=O)Nc2ccc(OCCCN3CCCCC3)cc2)cc1Cl
Show InChI InChI=1S/C22H27Cl2N3O2/c1-16-20(23)14-18(15-21(16)24)26-22(28)25-17-6-8-19(9-7-17)29-13-5-12-27-10-3-2-4-11-27/h6-9,14-15H,2-5,10-13H2,1H3,(H2,25,26,28)
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135n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from cloned rat histamine H3 receptor transfected in CHO cells after 1 hr by scintillation counting analy...


Bioorg Med Chem Lett 23: 3416-20 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.080
BindingDB Entry DOI: 10.7270/Q2RB75Z5
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM50437066
PNG
(CHEMBL2403551)
Show SMILES C[C@@H]1CCCN1[C@@H]1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 |r|
Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21-/m1/s1
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147n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant rhesus monkey histamine H3 receptor transfected in CHO cell membranes after 1 hr by scin...


Bioorg Med Chem Lett 23: 4044-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.068
BindingDB Entry DOI: 10.7270/Q28C9XN0
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50435303
PNG
(CHEMBL2391167)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1
Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)
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>9.30E+3n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H1 receptor


Bioorg Med Chem Lett 23: 3421-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.081
BindingDB Entry DOI: 10.7270/Q2HH6MGF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50435304
PNG
(CHEMBL2391166)
Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)c2ccccc2F)c(C)c1
Show InChI InChI=1S/C23H28FN3O/c1-16-14-18(26-13-11-19(15-26)27-12-5-6-17(27)2)9-10-22(16)25-23(28)20-7-3-4-8-21(20)24/h3-4,7-10,14,17,19H,5-6,11-13,15H2,1-2H3,(H,25,28)
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>9.30E+3n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H1 receptor


Bioorg Med Chem Lett 23: 3421-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.081
BindingDB Entry DOI: 10.7270/Q2HH6MGF
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50433406
PNG
(CHEMBL2380643)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(cc1)N1CCN(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c2ccccc12 |r,wU:23.24,wD:30.33,TLB:31:30:23.28.27:25,22:23:30.33.29:27.26.25,22:23:25:30.33.32,THB:29:30:23.28.27:25,29:28:25:30.33.32,32:30:23:27.26.25,32:26:23:30.33.29,(1.07,-35.62,;1.84,-36.95,;1.84,-38.49,;.51,-37.71,;3.39,-36.95,;4.15,-38.27,;5.69,-38.27,;6.46,-36.95,;5.69,-35.62,;4.15,-35.62,;7.99,-36.94,;8.76,-38.28,;10.3,-38.28,;11.07,-36.95,;10.29,-35.61,;8.76,-35.61,;12.61,-36.94,;13.38,-38.28,;14.91,-38.29,;15.69,-36.95,;17.23,-36.96,;18,-38.29,;18.15,-35.73,;19.69,-35.75,;20.88,-34.48,;20.87,-32.99,;22.22,-32.51,;21.18,-33.75,;21.19,-35.33,;22.59,-35.9,;23.61,-34.62,;25.15,-34.62,;23.62,-33.09,;22.21,-34.97,;14.92,-35.62,;15.7,-34.29,;14.94,-32.95,;13.38,-32.94,;12.61,-34.28,;13.37,-35.61,)|
Show InChI InChI=1S/C30H39N5O4S/c1-40(38,39)33-12-10-32(11-13-33)24-6-8-25(9-7-24)34-14-15-35(27-5-3-2-4-26(27)34)29(36)31-28-22-16-21-17-23(28)20-30(37,18-21)19-22/h2-9,21-23,28,37H,10-20H2,1H3,(H,31,36)/t21?,22?,23?,28-,30-
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n/an/a 1n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant 11beta-HSD1 by scintillation proximity assay


Bioorg Med Chem Lett 23: 2414-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.018
BindingDB Entry DOI: 10.7270/Q2NV9KMN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50433404
PNG
(CHEMBL2380641)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1cnc(nc1)N1CCN(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c2ccccc12 |r,wU:23.24,wD:30.33,TLB:31:30:23.28.27:25,22:23:30.33.29:27.26.25,22:23:25:30.33.32,THB:29:30:23.28.27:25,29:28:25:30.33.32,32:30:23:27.26.25,32:26:23:30.33.29,(2.53,-27.78,;3.31,-29.1,;3.3,-30.64,;1.97,-29.87,;4.85,-29.11,;5.62,-30.43,;7.15,-30.43,;7.92,-29.1,;7.15,-27.77,;5.61,-27.78,;9.45,-29.1,;10.22,-30.44,;11.76,-30.44,;12.53,-29.1,;11.75,-27.76,;10.22,-27.77,;14.07,-29.1,;14.84,-30.44,;16.37,-30.44,;17.15,-29.11,;18.69,-29.12,;19.46,-30.45,;19.61,-27.88,;21.15,-27.91,;22.34,-26.63,;22.33,-25.15,;23.68,-24.67,;22.64,-25.9,;22.65,-27.49,;24.05,-28.05,;25.07,-26.78,;26.61,-26.78,;25.08,-25.25,;23.67,-27.12,;16.38,-27.78,;17.16,-26.45,;16.4,-25.1,;14.84,-25.1,;14.07,-26.43,;14.84,-27.77,)|
Show InChI InChI=1S/C28H37N7O4S/c1-40(38,39)33-8-6-32(7-9-33)22-17-29-26(30-18-22)34-10-11-35(24-5-3-2-4-23(24)34)27(36)31-25-20-12-19-13-21(25)16-28(37,14-19)15-20/h2-5,17-21,25,37H,6-16H2,1H3,(H,31,36)/t19?,20?,21?,25-,28-
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n/an/a 1n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant 11beta-HSD1 by scintillation proximity assay


Bioorg Med Chem Lett 23: 2414-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.018
BindingDB Entry DOI: 10.7270/Q2NV9KMN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50433405
PNG
(CHEMBL2380642)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(nc1)N1CCN(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c2ccccc12 |r,wU:23.24,wD:30.33,TLB:31:30:23.28.27:25,22:23:30.33.29:27.26.25,22:23:25:30.33.32,THB:29:30:23.28.27:25,29:28:25:30.33.32,32:30:23:27.26.25,32:26:23:30.33.29,(25.74,-29.77,;26.51,-31.1,;26.5,-32.64,;25.17,-31.86,;28.05,-31.1,;28.82,-32.42,;30.36,-32.43,;31.12,-31.1,;30.35,-29.77,;28.81,-29.77,;32.66,-31.09,;33.42,-32.43,;34.96,-32.43,;35.73,-31.1,;34.96,-29.76,;33.42,-29.76,;37.28,-31.1,;38.05,-32.43,;39.58,-32.44,;40.35,-31.11,;41.89,-31.11,;42.66,-32.45,;42.82,-29.88,;44.35,-29.9,;45.55,-28.63,;45.54,-27.14,;46.89,-26.66,;45.85,-27.9,;45.85,-29.48,;47.26,-30.05,;48.27,-28.77,;49.81,-28.77,;48.28,-27.24,;46.88,-29.12,;39.59,-29.77,;40.37,-28.44,;39.6,-27.1,;38.05,-27.09,;37.28,-28.43,;38.04,-29.76,)|
Show InChI InChI=1S/C29H38N6O4S/c1-40(38,39)33-10-8-32(9-11-33)23-6-7-26(30-19-23)34-12-13-35(25-5-3-2-4-24(25)34)28(36)31-27-21-14-20-15-22(27)18-29(37,16-20)17-21/h2-7,19-22,27,37H,8-18H2,1H3,(H,31,36)/t20?,21?,22?,27-,29-
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n/an/a 2n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant 11beta-HSD1 by scintillation proximity assay


Bioorg Med Chem Lett 23: 2414-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.018
BindingDB Entry DOI: 10.7270/Q2NV9KMN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50499970
PNG
(CHEMBL3741505)
Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cc1)C(=O)Nc1nnc(Nc2ccccc2)s1 |r,wU:6.9,3.2,(-9.07,-.95,;-8,-1.56,;-7.99,-2.79,;-6.67,-.78,;-5.33,-1.55,;-4,-.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;4.14,-5.38,;5.64,-5.7,;6.41,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;10.72,-1.22,;9.81,.03,;8.28,-.14,;7.66,-1.55,;5.38,-3.22,)|
Show InChI InChI=1S/C22H22N4O4S/c27-19(24-22-26-25-21(31-22)23-16-4-2-1-3-5-16)14-6-10-17(11-7-14)30-18-12-8-15(9-13-18)20(28)29/h1-7,10-11,15,18H,8-9,12-13H2,(H,23,25)(H,28,29)(H,24,26,27)/t15-,18+
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n/an/a 3n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of DGAT-1 in human Chang cells assessed as lipid level after 6 hrs in presence of substrate [14C]glycerol by HPLC analysis


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50499970
PNG
(CHEMBL3741505)
Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cc1)C(=O)Nc1nnc(Nc2ccccc2)s1 |r,wU:6.9,3.2,(-9.07,-.95,;-8,-1.56,;-7.99,-2.79,;-6.67,-.78,;-5.33,-1.55,;-4,-.77,;-4,.77,;-5.34,1.53,;-6.67,.76,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;3.73,-.93,;2.66,-3.08,;4,-3.86,;4.14,-5.38,;5.64,-5.7,;6.41,-4.36,;7.94,-4.2,;8.57,-2.79,;10.1,-2.63,;10.72,-1.22,;9.81,.03,;8.28,-.14,;7.66,-1.55,;5.38,-3.22,)|
Show InChI InChI=1S/C22H22N4O4S/c27-19(24-22-26-25-21(31-22)23-16-4-2-1-3-5-16)14-6-10-17(11-7-14)30-18-12-8-15(9-13-18)20(28)29/h1-7,10-11,15,18H,8-9,12-13H2,(H,23,25)(H,28,29)(H,24,26,27)/t15-,18+
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n/an/a 4n/an/an/an/an/an/a



Sanofi-aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DGAT-1 using 1,2,di(cis-9-octadecenoyl)-sn-glycerol as substrate by Microbeta counter


Bioorg Med Chem Lett 26: 25-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.046
BindingDB Entry DOI: 10.7270/Q2Z89GDN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50433412
PNG
(CHEMBL2380649)
Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)N1CCN(c4ccc(cn4)N4CCN(CC4)S(=O)(=O)C4CC4)c4ccccc14)C(C3)C2 |r,wU:9.10,wD:3.2,TLB:1:3:9.41.42:6,10:9:3.8.43:42.5.6,10:9:6:3.8.4,THB:43:3:9.41.42:6,43:41:6:3.8.4,4:3:9:42.5.6,4:5:9:3.8.43,(26.96,-60.09,;26.19,-58.76,;26.96,-57.43,;24.65,-58.76,;24.66,-57.23,;23.27,-56.65,;21.92,-57.13,;21.93,-58.62,;23.26,-59.11,;20.73,-59.89,;19.19,-59.87,;18.27,-61.1,;19.04,-62.44,;16.73,-61.1,;15.96,-62.43,;14.42,-62.43,;13.65,-61.09,;12.11,-61.09,;11.33,-59.75,;9.8,-59.75,;9.03,-61.08,;9.8,-62.42,;11.34,-62.42,;7.5,-61.09,;6.73,-62.42,;5.2,-62.41,;4.43,-61.09,;5.19,-59.76,;6.73,-59.76,;2.89,-61.09,;2.88,-62.63,;1.55,-61.85,;2.12,-59.77,;2.1,-58.24,;.78,-59.01,;14.42,-59.75,;13.65,-58.42,;14.43,-57.08,;15.98,-57.09,;16.75,-58.43,;15.97,-59.77,;22.23,-59.47,;22.23,-57.89,;23.64,-60.04,)|
Show InChI InChI=1S/C32H41N7O4S/c33-30(40)32-17-21-15-22(18-32)29(23(16-21)19-32)35-31(41)39-14-13-38(26-3-1-2-4-27(26)39)28-8-5-24(20-34-28)36-9-11-37(12-10-36)44(42,43)25-6-7-25/h1-5,8,20-23,25,29H,6-7,9-19H2,(H2,33,40)(H,35,41)/t21?,22?,23?,29-,32-
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n/an/a 4n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 by scintillation proximity assay


Bioorg Med Chem Lett 23: 2414-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.018
BindingDB Entry DOI: 10.7270/Q2NV9KMN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50433411
PNG
(CHEMBL2380648)
Show SMILES CC(C)(C)N1CCN(CC1)c1ccc(nc1)N1CCN(C(=O)N[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)c2ccccc12 |r,wU:23.24,wD:30.37,TLB:33:30:23.28.27:25,22:23:30.32.29:27.26.25,22:23:25:30.32.31,THB:29:30:23.28.27:25,29:28:25:30.32.31,31:30:23:27.26.25,31:26:23:30.32.29,(27.21,-52.3,;27.98,-53.63,;27.21,-54.97,;26.44,-53.63,;29.52,-53.63,;30.29,-54.95,;31.82,-54.95,;32.59,-53.63,;31.82,-52.3,;30.28,-52.3,;34.12,-53.62,;34.89,-52.29,;36.42,-52.29,;37.2,-53.63,;36.43,-54.96,;34.89,-54.96,;38.74,-53.62,;39.51,-54.96,;41.04,-54.97,;41.82,-53.63,;43.36,-53.64,;44.13,-54.97,;44.28,-52.41,;45.81,-52.44,;47.01,-51.16,;47,-49.68,;48.35,-49.2,;47.31,-50.43,;47.31,-52.02,;48.72,-52.58,;49.73,-51.3,;49.74,-49.78,;48.34,-51.65,;51.27,-51.3,;52.04,-52.64,;52.04,-49.97,;41.05,-52.3,;41.83,-50.97,;41.07,-49.63,;39.51,-49.62,;38.74,-50.96,;39.51,-52.29,)|
Show InChI InChI=1S/C33H45N7O2/c1-32(2,3)38-12-10-37(11-13-38)25-8-9-28(35-21-25)39-14-15-40(27-7-5-4-6-26(27)39)31(42)36-29-23-16-22-17-24(29)20-33(18-22,19-23)30(34)41/h4-9,21-24,29H,10-20H2,1-3H3,(H2,34,41)(H,36,42)/t22?,23?,24?,29-,33-
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n/an/a 4n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 by scintillation proximity assay


Bioorg Med Chem Lett 23: 2414-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.018
BindingDB Entry DOI: 10.7270/Q2NV9KMN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50433403
PNG
(CHEMBL2380640)
Show SMILES COc1ccc(cc1)-c1cnc(nc1)N1CCN(C(=O)N[C@H]2C3CC4CC2C[C@](C4)(C3)OC(N)=O)c2ccccc12 |r,wU:21.22,wD:28.35,TLB:31:28:21.26.25:23,20:21:28.30.27:25.24.23,20:21:23:28.30.29,THB:27:28:21.26.25:23,27:26:23:28.30.29,29:28:21:25.24.23,29:24:21:28.30.27,(27.37,-22.08,;28.15,-23.41,;29.69,-23.41,;30.45,-24.73,;31.99,-24.73,;32.76,-23.4,;31.99,-22.07,;30.45,-22.08,;34.29,-23.4,;35.06,-24.74,;36.6,-24.74,;37.37,-23.4,;36.59,-22.06,;35.06,-22.07,;38.91,-23.4,;39.68,-24.74,;41.22,-24.74,;41.99,-23.41,;43.53,-23.42,;44.3,-24.75,;44.45,-22.18,;45.99,-22.21,;47.19,-20.93,;47.18,-19.45,;48.53,-18.97,;47.49,-20.2,;47.49,-21.79,;48.9,-22.35,;49.91,-21.08,;49.92,-19.55,;48.52,-21.42,;51.45,-21.08,;52.22,-22.41,;53.76,-22.41,;51.45,-23.74,;41.22,-22.08,;42.01,-20.75,;41.24,-19.4,;39.68,-19.4,;38.91,-20.73,;39.68,-22.07,)|
Show InChI InChI=1S/C31H34N6O4/c1-40-24-8-6-20(7-9-24)23-17-33-29(34-18-23)36-10-11-37(26-5-3-2-4-25(26)36)30(39)35-27-21-12-19-13-22(27)16-31(14-19,15-21)41-28(32)38/h2-9,17-19,21-22,27H,10-16H2,1H3,(H2,32,38)(H,35,39)/t19?,21?,22?,27-,31-
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n/an/a 5n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant 11beta-HSD1 by scintillation proximity assay


Bioorg Med Chem Lett 23: 2414-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.018
BindingDB Entry DOI: 10.7270/Q2NV9KMN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50433407
PNG
(CHEMBL2380644)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(cc1)N1CCN(C(=O)N[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)c2ccccc12 |r,wU:23.24,wD:30.37,TLB:33:30:23.28.27:25,22:23:30.32.29:27.26.25,22:23:25:30.32.31,THB:29:30:23.28.27:25,29:28:25:30.32.31,31:30:23:27.26.25,31:26:23:30.32.29,(28.99,-37.06,;29.76,-38.38,;29.75,-39.92,;28.42,-39.15,;31.3,-38.39,;32.07,-39.71,;33.6,-39.71,;34.37,-38.38,;33.6,-37.05,;32.06,-37.06,;35.9,-38.38,;36.67,-39.72,;38.21,-39.72,;38.98,-38.38,;38.21,-37.04,;36.67,-37.05,;40.52,-38.38,;41.29,-39.72,;42.83,-39.72,;43.6,-38.39,;45.14,-38.4,;45.91,-39.73,;46.06,-37.16,;47.59,-37.19,;48.79,-35.92,;48.78,-34.43,;50.13,-33.95,;49.09,-35.19,;49.1,-36.77,;50.5,-37.34,;51.51,-36.06,;51.53,-34.53,;50.12,-36.41,;53.05,-36.06,;53.82,-34.73,;53.82,-37.39,;42.84,-37.06,;43.62,-35.73,;42.85,-34.38,;41.3,-34.38,;40.52,-35.71,;41.29,-37.05,)|
Show InChI InChI=1S/C31H40N6O4S/c1-42(40,41)35-12-10-34(11-13-35)24-6-8-25(9-7-24)36-14-15-37(27-5-3-2-4-26(27)36)30(39)33-28-22-16-21-17-23(28)20-31(18-21,19-22)29(32)38/h2-9,21-23,28H,10-20H2,1H3,(H2,32,38)(H,33,39)/t21?,22?,23?,28-,31-
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n/an/a 5n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant 11beta-HSD1 by scintillation proximity assay


Bioorg Med Chem Lett 23: 2414-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.018
BindingDB Entry DOI: 10.7270/Q2NV9KMN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50433400
PNG
(CHEMBL2380637)
Show SMILES COc1ccc(cc1)-c1cnc(nc1)N1CCN(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c2ccccc12 |r,wU:21.22,wD:28.31,TLB:20:21:31.27.28:25.24.23,20:21:23:31.28.30,29:28:21.26.25:23,THB:27:26:23:31.28.30,27:28:21.26.25:23,29:28:21:25.24.23,30:28:21:25.24.23,30:24:21:31.27.28,(.2,-12.39,;.98,-13.73,;2.52,-13.72,;3.29,-15.05,;4.83,-15.05,;5.59,-13.72,;4.83,-12.39,;3.28,-12.39,;7.13,-13.71,;7.9,-15.05,;9.44,-15.05,;10.21,-13.72,;9.43,-12.38,;7.9,-12.38,;11.76,-13.72,;12.53,-15.06,;14.06,-15.06,;14.84,-13.73,;16.38,-13.73,;17.15,-15.07,;17.3,-12.49,;18.84,-12.52,;20.04,-11.24,;20.03,-9.76,;21.38,-9.28,;20.34,-10.51,;20.35,-12.1,;21.75,-12.67,;22.77,-11.39,;24.31,-11.33,;22.78,-9.86,;21.37,-11.73,;14.07,-12.39,;14.85,-11.06,;14.09,-9.71,;12.53,-9.71,;11.76,-11.04,;12.52,-12.38,)|
Show InChI InChI=1S/C30H33N5O3/c1-38-24-8-6-20(7-9-24)23-17-31-28(32-18-23)34-10-11-35(26-5-3-2-4-25(26)34)29(36)33-27-21-12-19-13-22(27)16-30(37,14-19)15-21/h2-9,17-19,21-22,27,37H,10-16H2,1H3,(H,33,36)/t19?,21?,22?,27-,30-
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n/an/a 5n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 by scintillation proximity assay


Bioorg Med Chem Lett 23: 2414-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.018
BindingDB Entry DOI: 10.7270/Q2NV9KMN
More data for this
Ligand-Target Pair
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