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Compile Data Set for Download or QSAR

Found 132 hits with Last Name = 'stephensen' and Initial = 'h'   
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 H3 receptor


(Homo sapiens (Human))
BDBM50159110
PNG
(1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piper...)
Show SMILES C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1
Show InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2
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0.200n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human H3 receptor in GTPgamma[S]-Assay


J Med Chem 48: 306-11 (2005)


Article DOI: 10.1021/jm040873u
BindingDB Entry DOI: 10.7270/Q2N0161T
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50146832
PNG
(1-(3,4-Dimethoxy-phenyl)-4-[4-(1-ethyl-propyl)-pip...)
Show SMILES CCC(CC)N1CCN(CC1)C(=O)CCC(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C21H32N2O4/c1-5-17(6-2)22-11-13-23(14-12-22)21(25)10-8-18(24)16-7-9-19(26-3)20(15-16)27-4/h7,9,15,17H,5-6,8,10-14H2,1-4H3
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0.380n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human H3 receptor in GTPgamma[S]-Assay


J Med Chem 48: 306-11 (2005)


Article DOI: 10.1021/jm040873u
BindingDB Entry DOI: 10.7270/Q2N0161T
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50146832
PNG
(1-(3,4-Dimethoxy-phenyl)-4-[4-(1-ethyl-propyl)-pip...)
Show SMILES CCC(CC)N1CCN(CC1)C(=O)CCC(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C21H32N2O4/c1-5-17(6-2)22-11-13-23(14-12-22)21(25)10-8-18(24)16-7-9-19(26-3)20(15-16)27-4/h7,9,15,17H,5-6,8,10-14H2,1-4H3
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0.380n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human histamine H3 receptor expressed in CHO cells was determined by GTPgamma-S-assay


J Med Chem 47: 2833-8 (2004)


Article DOI: 10.1021/jm031028z
BindingDB Entry DOI: 10.7270/Q2T154CW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50370330
PNG
(CHEMBL1202893)
Show SMILES CCC(CC)N1CCN(CC1)C(=O)CCC(=O)c1ccc(OC)c(F)c1
Show InChI InChI=1S/C20H29FN2O3/c1-4-16(5-2)22-10-12-23(13-11-22)20(25)9-7-18(24)15-6-8-19(26-3)17(21)14-15/h6,8,14,16H,4-5,7,9-13H2,1-3H3
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0.430n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human histamine H3 receptor expressed in CHO cells was determined by GTPgamma-S-assay


J Med Chem 47: 2833-8 (2004)


Article DOI: 10.1021/jm031028z
BindingDB Entry DOI: 10.7270/Q2T154CW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50146836
PNG
(1-(4-Chloro-phenyl)-4-[4-(1,1-dimethyl-propyl)-pip...)
Show SMILES CCC(C)(C)N1CCN(CC1)C(=O)CCC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H27ClN2O2/c1-4-19(2,3)22-13-11-21(12-14-22)18(24)10-9-17(23)15-5-7-16(20)8-6-15/h5-8H,4,9-14H2,1-3H3
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0.540n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human histamine H3 receptor expressed in CHO cells was determined by GTPgamma-S-assay


J Med Chem 47: 2833-8 (2004)


Article DOI: 10.1021/jm031028z
BindingDB Entry DOI: 10.7270/Q2T154CW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM22541
PNG
(Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12|
Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
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0.580n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human histamine H3 receptor expressed in CHO cells was determined by GTPgamma-S-assay


J Med Chem 47: 2833-8 (2004)


Article DOI: 10.1021/jm031028z
BindingDB Entry DOI: 10.7270/Q2T154CW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM22541
PNG
(Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12|
Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
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0.600n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human H3 receptor in GTPgamma[S]-Assay


J Med Chem 48: 306-11 (2005)


Article DOI: 10.1021/jm040873u
BindingDB Entry DOI: 10.7270/Q2N0161T
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50370328
PNG
(CHEMBL1202892)
Show SMILES CCC(CC)N1CCN(CC1)C(=O)CCOc1ccc(cc1)C#N
Show InChI InChI=1S/C19H27N3O2/c1-3-17(4-2)21-10-12-22(13-11-21)19(23)9-14-24-18-7-5-16(15-20)6-8-18/h5-8,17H,3-4,9-14H2,1-2H3
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0.740n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human histamine H3 receptor expressed in CHO cells was determined by GTPgamma-S-assay


J Med Chem 47: 2833-8 (2004)


Article DOI: 10.1021/jm031028z
BindingDB Entry DOI: 10.7270/Q2T154CW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50146838
PNG
(1-(4-Chloro-phenyl)-4-[4-(1-ethyl-propyl)-piperazi...)
Show SMILES CCC(CC)N1CCN(CC1)C(=O)CCC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H27ClN2O2/c1-3-17(4-2)21-11-13-22(14-12-21)19(24)10-9-18(23)15-5-7-16(20)8-6-15/h5-8,17H,3-4,9-14H2,1-2H3
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0.860n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human histamine H3 receptor expressed in CHO cells was determined by GTPgamma-S-assay


J Med Chem 47: 2833-8 (2004)


Article DOI: 10.1021/jm031028z
BindingDB Entry DOI: 10.7270/Q2T154CW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50370331
PNG
(CHEMBL1202896)
Show SMILES CCC(CC)N1CCN(CC1)C(=O)Cc1ccc(cc1)N(C)C
Show InChI InChI=1S/C19H31N3O/c1-5-17(6-2)21-11-13-22(14-12-21)19(23)15-16-7-9-18(10-8-16)20(3)4/h7-10,17H,5-6,11-15H2,1-4H3
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0.960n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human histamine H3 receptor expressed in CHO cells was determined by GTPgamma-S-assay


J Med Chem 47: 2833-8 (2004)


Article DOI: 10.1021/jm031028z
BindingDB Entry DOI: 10.7270/Q2T154CW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50159113
PNG
(2-(4-Cyclopropyl-piperazin-1-yl)-6-pyrazol-1-yl-qu...)
Show SMILES C1CC1N1CCN(CC1)c1ccc2cc(ccc2n1)-n1cccn1
Show InChI InChI=1S/C19H21N5/c1-8-20-24(9-1)17-5-6-18-15(14-17)2-7-19(21-18)23-12-10-22(11-13-23)16-3-4-16/h1-2,5-9,14,16H,3-4,10-13H2
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1.10n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human H3 receptor in GTPgamma[S]-Assay


J Med Chem 48: 306-11 (2005)


Article DOI: 10.1021/jm040873u
BindingDB Entry DOI: 10.7270/Q2N0161T
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50146835
PNG
(1-(4-Chloro-phenyl)-4-(4-cyclopentyl-piperazin-1-y...)
Show SMILES Clc1ccc(cc1)C(=O)CCC(=O)N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C19H25ClN2O2/c20-16-7-5-15(6-8-16)18(23)9-10-19(24)22-13-11-21(12-14-22)17-3-1-2-4-17/h5-8,17H,1-4,9-14H2
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1.20n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human histamine H3 receptor expressed in CHO cells was determined by GTPgamma-S-assay


J Med Chem 47: 2833-8 (2004)


Article DOI: 10.1021/jm031028z
BindingDB Entry DOI: 10.7270/Q2T154CW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50146826
PNG
(1-(4-Chloro-phenyl)-4-(4-cyclobutyl-piperazin-1-yl...)
Show SMILES Clc1ccc(cc1)C(=O)CCC(=O)N1CCN(CC1)C1CCC1
Show InChI InChI=1S/C18H23ClN2O2/c19-15-6-4-14(5-7-15)17(22)8-9-18(23)21-12-10-20(11-13-21)16-2-1-3-16/h4-7,16H,1-3,8-13H2
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1.20n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human histamine H3 receptor expressed in CHO cells was determined by GTPgamma-S-assay


J Med Chem 47: 2833-8 (2004)


Article DOI: 10.1021/jm031028z
BindingDB Entry DOI: 10.7270/Q2T154CW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50146840
PNG
(3-(4-Chloro-phenoxy)-1-[4-(1-ethyl-propyl)-piperaz...)
Show SMILES CCC(CC)N1CCN(CC1)C(=O)CCOc1ccc(Cl)cc1
Show InChI InChI=1S/C18H27ClN2O2/c1-3-16(4-2)20-10-12-21(13-11-20)18(22)9-14-23-17-7-5-15(19)6-8-17/h5-8,16H,3-4,9-14H2,1-2H3
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1.20n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human histamine H3 receptor expressed in CHO cells was determined by GTPgamma-S-assay


J Med Chem 47: 2833-8 (2004)


Article DOI: 10.1021/jm031028z
BindingDB Entry DOI: 10.7270/Q2T154CW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50370336
PNG
(CHEMBL1202903)
Show SMILES CCC(CC)N1CCN(CC1)C(=O)CCC(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H27F3N2O2/c1-3-17(4-2)24-11-13-25(14-12-24)19(27)10-9-18(26)15-5-7-16(8-6-15)20(21,22)23/h5-8,17H,3-4,9-14H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human histamine H3 receptor expressed in CHO cells was determined by GTPgamma-S-assay


J Med Chem 47: 2833-8 (2004)


Article DOI: 10.1021/jm031028z
BindingDB Entry DOI: 10.7270/Q2T154CW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50370338
PNG
(CHEMBL1202904)
Show SMILES CCC(CC)N1CCN(CC1)C(=O)CCC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H27FN2O2/c1-3-17(4-2)21-11-13-22(14-12-21)19(24)10-9-18(23)15-5-7-16(20)8-6-15/h5-8,17H,3-4,9-14H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human histamine H3 receptor expressed in CHO cells was determined by GTPgamma-S-assay


J Med Chem 47: 2833-8 (2004)


Article DOI: 10.1021/jm031028z
BindingDB Entry DOI: 10.7270/Q2T154CW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50159114
PNG
(CHEMBL179234 | Cyclopropyl-[2-(4-cyclopropyl-piper...)
Show SMILES O=C(C1CC1)c1ccc2nc(ccc2c1)N1CCN(CC1)C1CC1
Show InChI InChI=1S/C20H23N3O/c24-20(14-1-2-14)16-3-7-18-15(13-16)4-8-19(21-18)23-11-9-22(10-12-23)17-5-6-17/h3-4,7-8,13-14,17H,1-2,5-6,9-12H2
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1.80n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human H3 receptor in GTPgamma[S]-Assay


J Med Chem 48: 306-11 (2005)


Article DOI: 10.1021/jm040873u
BindingDB Entry DOI: 10.7270/Q2N0161T
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50120543
PNG
(7-Methyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-i...)
Show SMILES Cc1ccn2cc(nc2c1)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C22H27N3O/c1-18-10-14-25-17-21(23-22(25)16-18)19-6-8-20(9-7-19)26-15-5-13-24-11-3-2-4-12-24/h6-10,14,16-17H,2-5,11-13,15H2,1H3
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2n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human H3 receptor in GTPgamma[S]-Assay


J Med Chem 48: 306-11 (2005)


Article DOI: 10.1021/jm040873u
BindingDB Entry DOI: 10.7270/Q2N0161T
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50370327
PNG
(CHEMBL1202901)
Show SMILES CCC(CC)N1CCN(CC1)C(=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H25F3N2O/c1-3-16(4-2)22-9-11-23(12-10-22)17(24)13-14-5-7-15(8-6-14)18(19,20)21/h5-8,16H,3-4,9-13H2,1-2H3
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2.30n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human histamine H3 receptor expressed in CHO cells was determined by GTPgamma-S-assay


J Med Chem 47: 2833-8 (2004)


Article DOI: 10.1021/jm031028z
BindingDB Entry DOI: 10.7270/Q2T154CW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50370326
PNG
(CHEMBL1202900)
Show SMILES CCC(CC)N1CCN(CC1)C(=O)Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H25F3N2O2/c1-3-15(4-2)22-9-11-23(12-10-22)17(24)13-14-5-7-16(8-6-14)25-18(19,20)21/h5-8,15H,3-4,9-13H2,1-2H3
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2.60n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human histamine H3 receptor expressed in CHO cells was determined by GTPgamma-S-assay


J Med Chem 47: 2833-8 (2004)


Article DOI: 10.1021/jm031028z
BindingDB Entry DOI: 10.7270/Q2T154CW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM22904
PNG
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)
Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human histamine H3 receptor expressed in CHO cells was determined by GTPgamma-S-assay


J Med Chem 47: 2833-8 (2004)


Article DOI: 10.1021/jm031028z
BindingDB Entry DOI: 10.7270/Q2T154CW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50370329
PNG
(CHEMBL1202894)
Show SMILES CCC(CC)N1CCN(CC1)C(=O)CCC(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H27F3N2O3/c1-3-16(4-2)24-11-13-25(14-12-24)19(27)10-9-18(26)15-5-7-17(8-6-15)28-20(21,22)23/h5-8,16H,3-4,9-14H2,1-2H3
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2.70n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human histamine H3 receptor expressed in CHO cells was determined by GTPgamma-S-assay


J Med Chem 47: 2833-8 (2004)


Article DOI: 10.1021/jm031028z
BindingDB Entry DOI: 10.7270/Q2T154CW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50370339
PNG
(CHEMBL1202899)
Show SMILES CCC(CC)N1CCN(CC1)C(=O)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H30N2O/c1-3-22(4-2)24-14-16-25(17-15-24)23(26)18-19-10-12-21(13-11-19)20-8-6-5-7-9-20/h5-13,22H,3-4,14-18H2,1-2H3
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2.90n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human histamine H3 receptor expressed in CHO cells was determined by GTPgamma-S-assay


J Med Chem 47: 2833-8 (2004)


Article DOI: 10.1021/jm031028z
BindingDB Entry DOI: 10.7270/Q2T154CW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50159116
PNG
(2-[4-(1-Ethyl-propyl)-piperazin-1-yl]-quinoline | ...)
Show SMILES CCC(CC)N1CCN(CC1)c1ccc2ccccc2n1
Show InChI InChI=1S/C18H25N3/c1-3-16(4-2)20-11-13-21(14-12-20)18-10-9-15-7-5-6-8-17(15)19-18/h5-10,16H,3-4,11-14H2,1-2H3
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2.90n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human H3 receptor in GTPgamma[S]-Assay


J Med Chem 48: 306-11 (2005)


Article DOI: 10.1021/jm040873u
BindingDB Entry DOI: 10.7270/Q2N0161T
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50159122
PNG
(2-(4-Cyclopropyl-piperazin-1-yl)-6-methoxy-quinoli...)
Show SMILES COc1ccc2nc(ccc2c1)N1CCN(CC1)C1CC1
Show InChI InChI=1S/C17H21N3O/c1-21-15-5-6-16-13(12-15)2-7-17(18-16)20-10-8-19(9-11-20)14-3-4-14/h2,5-7,12,14H,3-4,8-11H2,1H3
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3n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human H3 receptor in GTPgamma[S]-Assay


J Med Chem 48: 306-11 (2005)


Article DOI: 10.1021/jm040873u
BindingDB Entry DOI: 10.7270/Q2N0161T
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50146843
PNG
(1-(4-Chloro-phenyl)-4-(4-cyclohexyl-piperazin-1-yl...)
Show SMILES Clc1ccc(cc1)C(=O)CCC(=O)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C20H27ClN2O2/c21-17-8-6-16(7-9-17)19(24)10-11-20(25)23-14-12-22(13-15-23)18-4-2-1-3-5-18/h6-9,18H,1-5,10-15H2
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3.60n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human histamine H3 receptor expressed in CHO cells was determined by GTPgamma-S-assay


J Med Chem 47: 2833-8 (2004)


Article DOI: 10.1021/jm031028z
BindingDB Entry DOI: 10.7270/Q2T154CW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50146839
PNG
(1-(4-Chloro-phenyl)-4-(4-isopropyl-piperazin-1-yl)...)
Show SMILES CC(C)N1CCN(CC1)C(=O)CCC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H23ClN2O2/c1-13(2)19-9-11-20(12-10-19)17(22)8-7-16(21)14-3-5-15(18)6-4-14/h3-6,13H,7-12H2,1-2H3
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4.40n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human histamine H3 receptor expressed in CHO cells was determined by GTPgamma-S-assay


J Med Chem 47: 2833-8 (2004)


Article DOI: 10.1021/jm031028z
BindingDB Entry DOI: 10.7270/Q2T154CW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50159121
PNG
(2-(4-Cyclopropyl-piperazin-1-yl)-quinoline-6-carbo...)
Show SMILES N#Cc1ccc2nc(ccc2c1)N1CCN(CC1)C1CC1
Show InChI InChI=1S/C17H18N4/c18-12-13-1-5-16-14(11-13)2-6-17(19-16)21-9-7-20(8-10-21)15-3-4-15/h1-2,5-6,11,15H,3-4,7-10H2
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4.80n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human H3 receptor in GTPgamma[S]-Assay


J Med Chem 48: 306-11 (2005)


Article DOI: 10.1021/jm040873u
BindingDB Entry DOI: 10.7270/Q2N0161T
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50159120
PNG
(2-(4-Propyl-piperazin-1-yl)-quinoline | CHEMBL1804...)
Show SMILES CCN1CCN(CC1)c1ccc2ccccc2n1
Show InChI InChI=1S/C15H19N3/c1-2-17-9-11-18(12-10-17)15-8-7-13-5-3-4-6-14(13)16-15/h3-8H,2,9-12H2,1H3
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6n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human H3 receptor in GTPgamma[S]-Assay


J Med Chem 48: 306-11 (2005)


Article DOI: 10.1021/jm040873u
BindingDB Entry DOI: 10.7270/Q2N0161T
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50159108
PNG
(2-(4-Isopropyl-piperazin-1-yl)-quinoline | CHEMBL3...)
Show SMILES CC(C)N1CCN(CC1)c1ccc2ccccc2n1
Show InChI InChI=1S/C16H21N3/c1-13(2)18-9-11-19(12-10-18)16-8-7-14-5-3-4-6-15(14)17-16/h3-8,13H,9-12H2,1-2H3
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6.80n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human H3 receptor in GTPgamma[S]-Assay


J Med Chem 48: 306-11 (2005)


Article DOI: 10.1021/jm040873u
BindingDB Entry DOI: 10.7270/Q2N0161T
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50146820
PNG
(1-(4-Chloro-phenyl)-4-(4-cyclopropylmethyl-piperaz...)
Show SMILES Clc1ccc(cc1)C(=O)CCC(=O)N1CCN(CC2CC2)CC1
Show InChI InChI=1S/C18H23ClN2O2/c19-16-5-3-15(4-6-16)17(22)7-8-18(23)21-11-9-20(10-12-21)13-14-1-2-14/h3-6,14H,1-2,7-13H2
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8.30n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human histamine H3 receptor expressed in CHO cells was determined by GTPgamma-S-assay


J Med Chem 47: 2833-8 (2004)


Article DOI: 10.1021/jm031028z
BindingDB Entry DOI: 10.7270/Q2T154CW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50370337
PNG
(CHEMBL1202902)
Show SMILES CCC(CC)N1CCN(CC1)C(=O)CCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H27F3N2O/c1-3-17(4-2)23-11-13-24(14-12-23)18(25)10-7-15-5-8-16(9-6-15)19(20,21)22/h5-6,8-9,17H,3-4,7,10-14H2,1-2H3
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8.5n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human histamine H3 receptor expressed in CHO cells was determined by GTPgamma-S-assay


J Med Chem 47: 2833-8 (2004)


Article DOI: 10.1021/jm031028z
BindingDB Entry DOI: 10.7270/Q2T154CW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50146818
PNG
(1-(4-Chloro-phenyl)-4-[4-(tetrahydro-pyran-4-yl)-p...)
Show SMILES Clc1ccc(cc1)C(=O)CCC(=O)N1CCN(CC1)C1CCOCC1
Show InChI InChI=1S/C19H25ClN2O3/c20-16-3-1-15(2-4-16)18(23)5-6-19(24)22-11-9-21(10-12-22)17-7-13-25-14-8-17/h1-4,17H,5-14H2
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9.20n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human histamine H3 receptor expressed in CHO cells was determined by GTPgamma-S-assay


J Med Chem 47: 2833-8 (2004)


Article DOI: 10.1021/jm031028z
BindingDB Entry DOI: 10.7270/Q2T154CW
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)
BDBM50080367
PNG
((R)-1-{2-[(Z)-2-(2-Chloro-phenyl)-2-phenyl-vinylox...)
Show SMILES OC(=O)[C@@H]1CCCN(CCO\C=C(\c2ccccc2)c2ccccc2Cl)C1
Show InChI InChI=1S/C22H24ClNO3/c23-21-11-5-4-10-19(21)20(17-7-2-1-3-8-17)16-27-14-13-24-12-6-9-18(15-24)22(25)26/h1-5,7-8,10-11,16,18H,6,9,12-15H2,(H,25,26)/b20-16-/t18-/m1/s1
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12n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


J Med Chem 42: 3447-62 (1999)


Article DOI: 10.1021/jm981027k
BindingDB Entry DOI: 10.7270/Q2057GMV
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)
BDBM50080358
PNG
(1-{2-[2,2-Bis-(2-chloro-phenyl)-vinyloxy]-ethyl}-1...)
Show SMILES [#8]-[#6](=O)-[#6]-1=[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#6]=[#6](\c2ccccc2Cl)-c2ccccc2Cl)-[#6]-1 |t:3|
Show InChI InChI=1S/C22H21Cl2NO3/c23-20-9-3-1-7-17(20)19(18-8-2-4-10-21(18)24)15-28-13-12-25-11-5-6-16(14-25)22(26)27/h1-4,6-10,15H,5,11-14H2,(H,26,27)
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12n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


J Med Chem 42: 3447-62 (1999)


Article DOI: 10.1021/jm981027k
BindingDB Entry DOI: 10.7270/Q2057GMV
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)
BDBM50080382
PNG
((R)-1-{2-[(Z)-2-(2-Chloro-phenyl)-2-o-tolyl-vinylo...)
Show SMILES Cc1ccccc1\C(=C\OCCN1CCC[C@H](C1)C(O)=O)c1ccccc1Cl
Show InChI InChI=1S/C23H26ClNO3/c1-17-7-2-3-9-19(17)21(20-10-4-5-11-22(20)24)16-28-14-13-25-12-6-8-18(15-25)23(26)27/h2-5,7,9-11,16,18H,6,8,12-15H2,1H3,(H,26,27)/b21-16-/t18-/m1/s1
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12n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


J Med Chem 42: 3447-62 (1999)


Article DOI: 10.1021/jm981027k
BindingDB Entry DOI: 10.7270/Q2057GMV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50159109
PNG
(2-(4-Cyclopropyl-piperazin-1-yl)-quinoline | CHEMB...)
Show SMILES C1CC1N1CCN(CC1)c1ccc2ccccc2n1
Show InChI InChI=1S/C16H19N3/c1-2-4-15-13(3-1)5-8-16(17-15)19-11-9-18(10-12-19)14-6-7-14/h1-5,8,14H,6-7,9-12H2
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13n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human H3 receptor in GTPgamma[S]-Assay


J Med Chem 48: 306-11 (2005)


Article DOI: 10.1021/jm040873u
BindingDB Entry DOI: 10.7270/Q2N0161T
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50146829
PNG
(1-(4-Chloro-phenyl)-4-(4-cyclopropyl-piperazin-1-y...)
Show SMILES Clc1ccc(cc1)C(=O)CCC(=O)N1CCN(CC1)C1CC1
Show InChI InChI=1S/C17H21ClN2O2/c18-14-3-1-13(2-4-14)16(21)7-8-17(22)20-11-9-19(10-12-20)15-5-6-15/h1-4,15H,5-12H2
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13.3n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human histamine H3 receptor expressed in CHO cells was determined by GTPgamma-S-assay


J Med Chem 47: 2833-8 (2004)


Article DOI: 10.1021/jm031028z
BindingDB Entry DOI: 10.7270/Q2T154CW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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14n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human H3 receptor in GTPgamma[S]-Assay


J Med Chem 48: 306-11 (2005)


Article DOI: 10.1021/jm040873u
BindingDB Entry DOI: 10.7270/Q2N0161T
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)
BDBM50080337
PNG
((R)-1-{2-[2,2-Bis-(3-methyl-thiophen-2-yl)-vinylox...)
Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6]
Show InChI InChI=1S/C20H25NO3S2/c1-14-5-10-25-18(14)17(19-15(2)6-11-26-19)13-24-9-8-21-7-3-4-16(12-21)20(22)23/h5-6,10-11,13,16H,3-4,7-9,12H2,1-2H3,(H,22,23)/t16-/m1/s1
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14n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


J Med Chem 42: 3447-62 (1999)


Article DOI: 10.1021/jm981027k
BindingDB Entry DOI: 10.7270/Q2057GMV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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14n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human histamine H3 receptor expressed in CHO cells was determined by GTPgamma-S-assay


J Med Chem 47: 2833-8 (2004)


Article DOI: 10.1021/jm031028z
BindingDB Entry DOI: 10.7270/Q2T154CW
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)
BDBM50080376
PNG
((R)-1-{2-[(E)-2-(3-Methyl-thiophen-2-yl)-2-o-tolyl...)
Show SMILES Cc1ccsc1\C(=C\OCCN1CCC[C@H](C1)C(O)=O)c1ccccc1C
Show InChI InChI=1S/C22H27NO3S/c1-16-6-3-4-8-19(16)20(21-17(2)9-13-27-21)15-26-12-11-23-10-5-7-18(14-23)22(24)25/h3-4,6,8-9,13,15,18H,5,7,10-12,14H2,1-2H3,(H,24,25)/b20-15+/t18-/m1/s1
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17n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


J Med Chem 42: 3447-62 (1999)


Article DOI: 10.1021/jm981027k
BindingDB Entry DOI: 10.7270/Q2057GMV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50159111
PNG
((R)-2-Quinolin-2-yl-octahydro-pyrido[1,2-a]pyrazin...)
Show SMILES C1CCN2CCN(C[C@H]2C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C17H21N3/c1-2-7-16-14(5-1)8-9-17(18-16)20-12-11-19-10-4-3-6-15(19)13-20/h1-2,5,7-9,15H,3-4,6,10-13H2/t15-/m1/s1
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18n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human H3 receptor in GTPgamma[S]-Assay


J Med Chem 48: 306-11 (2005)


Article DOI: 10.1021/jm040873u
BindingDB Entry DOI: 10.7270/Q2N0161T
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)
BDBM50080327
PNG
(1-{2-[(Z)-2-(2-Fluoro-phenyl)-2-o-tolyl-vinyloxy]-...)
Show SMILES Cc1ccccc1\C(=C\OCCN1CCC=C(C1)C(O)=O)c1ccccc1F |c:16|
Show InChI InChI=1S/C23H24FNO3/c1-17-7-2-3-9-19(17)21(20-10-4-5-11-22(20)24)16-28-14-13-25-12-6-8-18(15-25)23(26)27/h2-5,7-11,16H,6,12-15H2,1H3,(H,26,27)/b21-16-
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19n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


J Med Chem 42: 3447-62 (1999)


Article DOI: 10.1021/jm981027k
BindingDB Entry DOI: 10.7270/Q2057GMV
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)
BDBM50080335
PNG
((R)-1-[2-(2,2-Di-o-tolyl-vinyloxy)-ethyl]-piperidi...)
Show SMILES [#6]-c1ccccc1\[#6](=[#6]/[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1ccccc1-[#6]
Show InChI InChI=1S/C24H29NO3/c1-18-8-3-5-11-21(18)23(22-12-6-4-9-19(22)2)17-28-15-14-25-13-7-10-20(16-25)24(26)27/h3-6,8-9,11-12,17,20H,7,10,13-16H2,1-2H3,(H,26,27)/t20-/m1/s1
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19n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


J Med Chem 42: 3447-62 (1999)


Article DOI: 10.1021/jm981027k
BindingDB Entry DOI: 10.7270/Q2057GMV
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)
BDBM50080375
PNG
((R)-1-[2-((E)-2-Phenyl-2-o-tolyl-vinyloxy)-ethyl]-...)
Show SMILES Cc1ccccc1\C(=C\OCCN1CCC[C@H](C1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C23H27NO3/c1-18-8-5-6-12-21(18)22(19-9-3-2-4-10-19)17-27-15-14-24-13-7-11-20(16-24)23(25)26/h2-6,8-10,12,17,20H,7,11,13-16H2,1H3,(H,25,26)/b22-17+/t20-/m1/s1
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21n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


J Med Chem 42: 3447-62 (1999)


Article DOI: 10.1021/jm981027k
BindingDB Entry DOI: 10.7270/Q2057GMV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50370334
PNG
(CHEMBL1202897)
Show SMILES CCC(CC)N1CCN(CC1)C(=O)Cc1ccc(cc1)C(C)=O
Show InChI InChI=1S/C19H28N2O2/c1-4-18(5-2)20-10-12-21(13-11-20)19(23)14-16-6-8-17(9-7-16)15(3)22/h6-9,18H,4-5,10-14H2,1-3H3
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24n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human histamine H3 receptor expressed in CHO cells was determined by GTPgamma-S-assay


J Med Chem 47: 2833-8 (2004)


Article DOI: 10.1021/jm031028z
BindingDB Entry DOI: 10.7270/Q2T154CW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50159118
PNG
(6-Chloro-2-(4-cyclopropyl-piperazin-1-yl)-quinolin...)
Show SMILES Clc1ccc2nc(ccc2c1)N1CCN(CC1)C1CC1
Show InChI InChI=1S/C16H18ClN3/c17-13-2-5-15-12(11-13)1-6-16(18-15)20-9-7-19(8-10-20)14-3-4-14/h1-2,5-6,11,14H,3-4,7-10H2
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24n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist potency against human H3 receptor in GTPgamma[S]-Assay


J Med Chem 48: 306-11 (2005)


Article DOI: 10.1021/jm040873u
BindingDB Entry DOI: 10.7270/Q2N0161T
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)
BDBM50080368
PNG
(1-[2-(2,2-Di-o-tolyl-vinyloxy)-ethyl]-1,2,5,6-tetr...)
Show SMILES [#6]-c1ccccc1\[#6](=[#6]/[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]=[#6](-[#6]-1)-[#6](-[#8])=O)-c1ccccc1-[#6] |c:16|
Show InChI InChI=1S/C24H27NO3/c1-18-8-3-5-11-21(18)23(22-12-6-4-9-19(22)2)17-28-15-14-25-13-7-10-20(16-25)24(26)27/h3-6,8-12,17H,7,13-16H2,1-2H3,(H,26,27)
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26n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


J Med Chem 42: 3447-62 (1999)


Article DOI: 10.1021/jm981027k
BindingDB Entry DOI: 10.7270/Q2057GMV
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)
BDBM50080388
PNG
((R)-1-{2-[(E)-2-(3-Fluoro-phenyl)-2-o-tolyl-vinylo...)
Show SMILES Cc1ccccc1\C(=C\OCCN1CCC[C@H](C1)C(O)=O)c1cccc(F)c1
Show InChI InChI=1S/C23H26FNO3/c1-17-6-2-3-10-21(17)22(18-7-4-9-20(24)14-18)16-28-13-12-25-11-5-8-19(15-25)23(26)27/h2-4,6-7,9-10,14,16,19H,5,8,11-13,15H2,1H3,(H,26,27)/b22-16+/t19-/m1/s1
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28n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes


J Med Chem 42: 3447-62 (1999)


Article DOI: 10.1021/jm981027k
BindingDB Entry DOI: 10.7270/Q2057GMV
More data for this
Ligand-Target Pair
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