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Compile Data Set for Download or QSAR

Found 602 hits with Last Name = 'pertz' and Initial = 'hh'   
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)


(Homo sapiens (Human))
BDBM50110291
PNG
((7-Chloro-quinolin-4-yl)-[4-(3-piperidin-1-yl-prop...)
Show SMILES Clc1ccc2c(Nc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1
Show InChI InChI=1S/C23H26ClN3O/c24-18-5-10-21-22(11-12-25-23(21)17-18)26-19-6-8-20(9-7-19)28-16-4-15-27-13-2-1-3-14-27/h5-12,17H,1-4,13-16H2,(H,25,26)
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0.0860n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Affinity for displacement of [125I]-iodoproxyfan from human histamine H3 receptors stably expressed in CHO cells


J Med Chem 45: 1128-41 (2002)


BindingDB Entry DOI: 10.7270/Q2H70F4V
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50110288
PNG
(CHEMBL15153 | N-(4-(3-(piperidin-1-yl)propoxy)phen...)
Show SMILES C(COc1ccc(Nc2ccnc3ccccc23)cc1)CN1CCCCC1
Show InChI InChI=1S/C23H27N3O/c1-4-15-26(16-5-1)17-6-18-27-20-11-9-19(10-12-20)25-23-13-14-24-22-8-3-2-7-21(22)23/h2-3,7-14H,1,4-6,15-18H2,(H,24,25)
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0.0910n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Affinity for displacement of [125I]-iodoproxyfan from human histamine H3 receptors stably expressed in CHO cells


J Med Chem 45: 1128-41 (2002)


BindingDB Entry DOI: 10.7270/Q2H70F4V
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50091385
PNG
(1-{4-[3-(1H-Imidazol-4-yl)-propoxy]-phenyl}-ethano...)
Show SMILES CC(N=O)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C14H17N3O2/c1-11(17-18)12-4-6-14(7-5-12)19-8-2-3-13-9-15-10-16-13/h4-7,9-11H,2-3,8H2,1H3,(H,15,16)
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0.260n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarization-induced release of [3H]-histamine from rat synaptosomes.


J Med Chem 43: 3335-43 (2000)


BindingDB Entry DOI: 10.7270/Q2RR1XGV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50091373
PNG
(1-{2-Fluoro-4-[3-(1H-imidazol-4-yl)-propoxy]-pheny...)
Show SMILES CC(N=O)c1ccc(OCCCc2cnc[nH]2)cc1F
Show InChI InChI=1S/C14H16FN3O2/c1-10(18-19)13-5-4-12(7-14(13)15)20-6-2-3-11-8-16-9-17-11/h4-5,7-10H,2-3,6H2,1H3,(H,16,17)
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0.300n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarization-induced release of [3H]-histamine from rat synaptosomes.


J Med Chem 43: 3335-43 (2000)


BindingDB Entry DOI: 10.7270/Q2RR1XGV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50110300
PNG
(CHEMBL15056 | N-(4-(3-(piperidin-1-yl)propoxy)phen...)
Show SMILES C(COc1ccc(CCNc2c3CCCCc3nc3ccccc23)cc1)CN1CCCCC1
Show InChI InChI=1S/C29H37N3O/c1-6-19-32(20-7-1)21-8-22-33-24-15-13-23(14-16-24)17-18-30-29-25-9-2-4-11-27(25)31-28-12-5-3-10-26(28)29/h2,4,9,11,13-16H,1,3,5-8,10,12,17-22H2,(H,30,31)
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0.330n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Affinity for displacement of [125I]-iodoproxyfan from human histamine H3 receptors stably expressed in CHO cells


J Med Chem 45: 1128-41 (2002)


BindingDB Entry DOI: 10.7270/Q2H70F4V
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50180913
PNG
(11-methyl-11-aza-tricyclo[12.4.0.0.3,8]octadeca-1(...)
Show SMILES CN1CCc2ccccc2Cc2ccc(O)cc2CC1
Show InChI InChI=1S/C18H21NO/c1-19-10-8-14-4-2-3-5-15(14)12-16-6-7-18(20)13-17(16)9-11-19/h2-7,13,20H,8-12H2,1H3
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0.355n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D1 receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50091396
PNG
(4-[3-(1H-Imidazol-4-yl)-propoxy]-benzaldehyde oxim...)
Show SMILES O=NCc1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C13H15N3O2/c17-16-8-11-3-5-13(6-4-11)18-7-1-2-12-9-14-10-15-12/h3-6,9-10H,1-2,7-8H2,(H,14,15)
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0.440n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarization-induced release of [3H]-histamine from rat synaptosomes.


J Med Chem 43: 3335-43 (2000)


BindingDB Entry DOI: 10.7270/Q2RR1XGV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50091382
PNG
(CHEMBL324724 | N-Hydroxy-4-[3-(1H-imidazol-4-yl)-p...)
Show SMILES ONC(=N)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C13H16N4O2/c14-13(17-18)10-3-5-12(6-4-10)19-7-1-2-11-8-15-9-16-11/h3-6,8-9,18H,1-2,7H2,(H2,14,17)(H,15,16)
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0.460n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarization-induced release of [3H]-histamine from rat synaptosomes.


J Med Chem 43: 3335-43 (2000)


BindingDB Entry DOI: 10.7270/Q2RR1XGV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM27213
PNG
(4-[3-(4-cyclopropanecarbonylphenoxy)propyl]-1H-imi...)
Show SMILES O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)
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0.490n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarization-induced release of [3H]-histamine from rat synaptosomes.


J Med Chem 43: 3335-43 (2000)


BindingDB Entry DOI: 10.7270/Q2RR1XGV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM27213
PNG
(4-[3-(4-cyclopropanecarbonylphenoxy)propyl]-1H-imi...)
Show SMILES O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)
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0.490n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
In vitro binding affinity against rat histamine H3 receptor


J Med Chem 47: 2678-87 (2004)


Article DOI: 10.1021/jm031065q
BindingDB Entry DOI: 10.7270/Q2SQ8ZTC
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50110311
PNG
(CHEMBL276938 | {2-[4-(3-Piperidin-1-yl-propoxy)-ph...)
Show SMILES C(COc1ccc(CCNc2ccnc3ccccc23)cc1)CN1CCCCC1
Show InChI InChI=1S/C25H31N3O/c1-4-17-28(18-5-1)19-6-20-29-22-11-9-21(10-12-22)13-15-26-25-14-16-27-24-8-3-2-7-23(24)25/h2-3,7-12,14,16H,1,4-6,13,15,17-20H2,(H,26,27)
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0.530n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Affinity for displacement of [125I]-iodoproxyfan from human histamine H3 receptors stably expressed in CHO cells


J Med Chem 45: 1128-41 (2002)


BindingDB Entry DOI: 10.7270/Q2H70F4V
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50201338
PNG
(7-methyl-6,7,8,9,14,15-hexahydro-5H-indolo[3,2-f][...)
Show SMILES CN1CCc2c(Cc3ccccc3CC1)[nH]c1ccc(O)cc21
Show InChI InChI=1S/C20H22N2O/c1-22-10-8-14-4-2-3-5-15(14)12-20-17(9-11-22)18-13-16(23)6-7-19(18)21-20/h2-7,13,21,23H,8-12H2,1H3
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0.562n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D1 receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
HTR2C


(PIG)
BDBM30704
PNG
((phenylmethyl) N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13
Show InChI InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1
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0.630n/an/an/an/an/an/an/an/a



Friedrich-Schiller-University Jena

Curated by PDSP Ki Database




Br J Pharmacol 130: 692-8 (2000)


Article DOI: 10.1038/sj.bjp.0703341
BindingDB Entry DOI: 10.7270/Q2M32T9Z
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50110285
PNG
(CHEMBL274041 | {3-[4-(3-Piperidin-1-yl-propoxy)-ph...)
Show SMILES C(COc1ccc(CCCNc2ccnc3ccccc23)cc1)CN1CCCCC1
Show InChI InChI=1S/C26H33N3O/c1-4-18-29(19-5-1)20-7-21-30-23-13-11-22(12-14-23)8-6-16-27-26-15-17-28-25-10-3-2-9-24(25)26/h2-3,9-15,17H,1,4-8,16,18-21H2,(H,27,28)
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0.75n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Affinity for displacement of [125I]-iodoproxyfan from human histamine H3 receptors stably expressed in CHO cells


J Med Chem 45: 1128-41 (2002)


BindingDB Entry DOI: 10.7270/Q2H70F4V
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50091386
PNG
(1-{4-[3-(1H-Imidazol-4-yl)-propoxy]-phenyl}-ethano...)
Show SMILES CC(=O)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C14H16N2O2/c1-11(17)12-4-6-14(7-5-12)18-8-2-3-13-9-15-10-16-13/h4-7,9-10H,2-3,8H2,1H3,(H,15,16)
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0.800n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarization-induced release of [3H]-histamine from rat synaptosomes.


J Med Chem 43: 3335-43 (2000)


BindingDB Entry DOI: 10.7270/Q2RR1XGV
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50184428
PNG
(4-Chloro-3-hydroxy-7-methyl-5,6,7,8,9,14-hexahydro...)
Show SMILES CN1CCc2ccccc2Cc2ccc(O)c(Cl)c2CC1
Show InChI InChI=1S/C18H20ClNO/c1-20-10-8-13-4-2-3-5-14(13)12-15-6-7-17(21)18(19)16(15)9-11-20/h2-7,21H,8-12H2,1H3
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0.813n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D1 receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50091372
PNG
(CHEMBL322481 | N-(1-{4-[3-(1H-Imidazol-4-yl)-propo...)
Show SMILES CC(NO)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C14H19N3O2/c1-11(17-18)12-4-6-14(7-5-12)19-8-2-3-13-9-15-10-16-13/h4-7,9-11,17-18H,2-3,8H2,1H3,(H,15,16)
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0.930n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarization-induced release of [3H]-histamine from rat synaptosomes.


J Med Chem 43: 3335-43 (2000)


BindingDB Entry DOI: 10.7270/Q2RR1XGV
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Friedrich-Schiller-University Jena

Curated by PDSP Ki Database




Br J Pharmacol 130: 692-8 (2000)


Article DOI: 10.1038/sj.bjp.0703341
BindingDB Entry DOI: 10.7270/Q2M32T9Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86174
PNG
(CAS_486-12-4 | NSC_5282443 | Triprolidine)
Show SMILES Cc1ccc(cc1)C(=CCN1CCCC1)c1ccccn1 |w:8.9|
Show InChI InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3
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1.15n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 1104-15 (2003)


Article DOI: 10.1124/jpet.103.049619
BindingDB Entry DOI: 10.7270/Q2HM5708
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50110299
PNG
(CHEMBL14754 | {3-[4-(3-Piperidin-1-yl-propoxy)-phe...)
Show SMILES C(COc1ccc(CCCNc2c3CCCCc3nc3ccccc23)cc1)CN1CCCCC1
Show InChI InChI=1S/C30H39N3O/c1-6-20-33(21-7-1)22-9-23-34-25-17-15-24(16-18-25)10-8-19-31-30-26-11-2-4-13-28(26)32-29-14-5-3-12-27(29)30/h2,4,11,13,15-18H,1,3,5-10,12,14,19-23H2,(H,31,32)
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1.40n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Affinity for displacement of [125I]-iodoproxyfan from human histamine H3 receptors stably expressed in CHO cells


J Med Chem 45: 1128-41 (2002)


BindingDB Entry DOI: 10.7270/Q2H70F4V
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50091371
PNG
(1-{4-[3-(1H-Imidazol-4-yl)-propoxy]-2-methyl-pheny...)
Show SMILES CC(N=O)c1ccc(OCCCc2cnc[nH]2)cc1C
Show InChI InChI=1S/C15H19N3O2/c1-11-8-14(5-6-15(11)12(2)18-19)20-7-3-4-13-9-16-10-17-13/h5-6,8-10,12H,3-4,7H2,1-2H3,(H,16,17)
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1.40n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarization-induced release of [3H]-histamine from rat synaptosomes.


J Med Chem 43: 3335-43 (2000)


BindingDB Entry DOI: 10.7270/Q2RR1XGV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50091384
PNG
(4-[3-(1H-Imidazol-4-yl)-propoxy]-benzoic acid hydr...)
Show SMILES NNC(=O)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C13H16N4O2/c14-17-13(18)10-3-5-12(6-4-10)19-7-1-2-11-8-15-9-16-11/h3-6,8-9H,1-2,7,14H2,(H,15,16)(H,17,18)
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1.5n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarization-induced release of [3H]-histamine from rat synaptosomes.


J Med Chem 43: 3335-43 (2000)


BindingDB Entry DOI: 10.7270/Q2RR1XGV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50110290
PNG
(CHEMBL14484 | {4-[4-(3-Piperidin-1-yl-propoxy)-phe...)
Show SMILES C(CCc1ccc(OCCCN2CCCCC2)cc1)CNc1ccnc2ccccc12
Show InChI InChI=1S/C27H35N3O/c1-6-19-30(20-7-1)21-8-22-31-24-14-12-23(13-15-24)9-4-5-17-28-27-16-18-29-26-11-3-2-10-25(26)27/h2-3,10-16,18H,1,4-9,17,19-22H2,(H,28,29)
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1.5n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Affinity for displacement of [125I]-iodoproxyfan from human histamine H3 receptors stably expressed in CHO cells


J Med Chem 45: 1128-41 (2002)


BindingDB Entry DOI: 10.7270/Q2H70F4V
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50091375
PNG
(1-{4-[3-(1H-Imidazol-4-yl)-propoxy]-3-methyl-pheny...)
Show SMILES CC(N=O)c1ccc(OCCCc2cnc[nH]2)c(C)c1
Show InChI InChI=1S/C15H19N3O2/c1-11-8-13(12(2)18-19)5-6-15(11)20-7-3-4-14-9-16-10-17-14/h5-6,8-10,12H,3-4,7H2,1-2H3,(H,16,17)
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1.5n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarization-induced release of [3H]-histamine from rat synaptosomes.


J Med Chem 43: 3335-43 (2000)


BindingDB Entry DOI: 10.7270/Q2RR1XGV
More data for this
Ligand-Target Pair
HTR2C


(PIG)
BDBM50024204
PNG
(1H-imidazo[4,5-c]pyridine derivative | 2N-[4,7-dim...)
Show SMILES CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15+,17+/m0/s1
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1.58n/an/an/an/an/an/an/an/a



Friedrich-Schiller-University Jena

Curated by PDSP Ki Database




Br J Pharmacol 130: 692-8 (2000)


Article DOI: 10.1038/sj.bjp.0703341
BindingDB Entry DOI: 10.7270/Q2M32T9Z
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50110306
PNG
((6-Piperidin-1-yl-hexyl)-(1,2,3,4-tetrahydro-acrid...)
Show SMILES C(CCCN1CCCCC1)CCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C24H35N3/c1(2-9-17-27-18-10-3-11-19-27)8-16-25-24-20-12-4-6-14-22(20)26-23-15-7-5-13-21(23)24/h4,6,12,14H,1-3,5,7-11,13,15-19H2,(H,25,26)
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1.80n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Affinity for displacement of [125I]-iodoproxyfan from human histamine H3 receptors stably expressed in CHO cells


J Med Chem 45: 1128-41 (2002)


BindingDB Entry DOI: 10.7270/Q2H70F4V
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50088341
PNG
(11-methyl-11,21-diazatetracyclo[12.7.0.0^{3,8}.0^{...)
Show SMILES CN1CCc2c(Cc3ccccc3CC1)[nH]c1ccccc21
Show InChI InChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-20-18(11-13-22)17-8-4-5-9-19(17)21-20/h2-9,21H,10-14H2,1H3
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1.86n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D1 receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Friedrich-Schiller-University Jena

Curated by PDSP Ki Database




Br J Pharmacol 130: 692-8 (2000)


Article DOI: 10.1038/sj.bjp.0703341
BindingDB Entry DOI: 10.7270/Q2M32T9Z
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM30704
PNG
((phenylmethyl) N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13
Show InChI InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1
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2n/an/an/an/an/an/an/an/a



Friedrich-Schiller-University Jena

Curated by PDSP Ki Database




Br J Pharmacol 130: 692-8 (2000)


Article DOI: 10.1038/sj.bjp.0703341
BindingDB Entry DOI: 10.7270/Q2M32T9Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50196234
PNG
(8-methyl-5,6,7,8,9,10,15,16-octahydroindolo[3,2-g]...)
Show SMILES CN1CCCc2ccccc2Cc2[nH]c3ccccc3c2CC1
Show InChI InChI=1S/C21H24N2/c1-23-13-6-9-16-7-2-3-8-17(16)15-21-19(12-14-23)18-10-4-5-11-20(18)22-21/h2-5,7-8,10-11,22H,6,9,12-15H2,1H3
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2.04n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D1 receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50091383
PNG
(1-{4-[3-(1H-Imidazol-4-yl)-propoxy]-phenyl}-propan...)
Show SMILES CCC(N=O)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C15H19N3O2/c1-2-15(18-19)12-5-7-14(8-6-12)20-9-3-4-13-10-16-11-17-13/h5-8,10-11,15H,2-4,9H2,1H3,(H,16,17)
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2.20n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarization-induced release of [3H]-histamine from rat synaptosomes.


J Med Chem 43: 3335-43 (2000)


BindingDB Entry DOI: 10.7270/Q2RR1XGV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22541
PNG
(CLOBENPROPIT | Clobenpropit | N''-[(4-chlorophenyl...)
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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2.40n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
HTR2C


(PIG)
BDBM50031942
PNG
((6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-i...)
Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |r,c:24|
Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1
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2.51n/an/an/an/an/an/an/an/a



Friedrich-Schiller-University Jena

Curated by PDSP Ki Database




Br J Pharmacol 130: 692-8 (2000)


Article DOI: 10.1038/sj.bjp.0703341
BindingDB Entry DOI: 10.7270/Q2M32T9Z
More data for this
Ligand-Target Pair
HTR2C


(PIG)
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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2.51n/an/an/an/an/an/an/an/a



Friedrich-Schiller-University Jena

Curated by PDSP Ki Database




Br J Pharmacol 130: 692-8 (2000)


Article DOI: 10.1038/sj.bjp.0703341
BindingDB Entry DOI: 10.7270/Q2M32T9Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50219137
PNG
(7-methyl-6,7,8,9,10,15-hexahydro-5H-dibenzo[d,g]az...)
Show SMILES CN1CCCc2ccccc2Cc2ccc(O)cc2CC1
Show InChI InChI=1S/C19H23NO/c1-20-11-4-7-15-5-2-3-6-16(15)13-17-8-9-19(21)14-18(17)10-12-20/h2-3,5-6,8-9,14,21H,4,7,10-13H2,1H3
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2.67n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D1 receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50091389
PNG
(4-[3-(1H-Imidazol-4-yl)-propoxy]-benzoic acid meth...)
Show SMILES COC(=O)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C14H16N2O3/c1-18-14(17)11-4-6-13(7-5-11)19-8-2-3-12-9-15-10-16-12/h4-7,9-10H,2-3,8H2,1H3,(H,15,16)
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2.80n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarization-induced release of [3H]-histamine from rat synaptosomes.


J Med Chem 43: 3335-43 (2000)


BindingDB Entry DOI: 10.7270/Q2RR1XGV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50126888
PNG
(1-[4-(4-Piperidin-1-ylmethyl-benzyloxy)-benzyl]-pi...)
Show SMILES C(Oc1ccc(CN2CCCCC2)cc1)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C25H34N2O/c1-3-15-26(16-4-1)19-22-7-9-24(10-8-22)21-28-25-13-11-23(12-14-25)20-27-17-5-2-6-18-27/h7-14H,1-6,15-21H2
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2.80n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM86174
PNG
(CAS_486-12-4 | NSC_5282443 | Triprolidine)
Show SMILES Cc1ccc(cc1)C(=CCN1CCCC1)c1ccccn1 |w:8.9|
Show InChI InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3
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3.01n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 1104-15 (2003)


Article DOI: 10.1124/jpet.103.049619
BindingDB Entry DOI: 10.7270/Q2HM5708
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50130257
PNG
((3E)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dim...)
Show SMILES CN(C)CC\C=C1/c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7+
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3.16n/an/an/an/an/an/an/an/a



Friedrich-Schiller-University Jena

Curated by PDSP Ki Database




Br J Pharmacol 130: 692-8 (2000)


Article DOI: 10.1038/sj.bjp.0703341
BindingDB Entry DOI: 10.7270/Q2M32T9Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50180925
PNG
(11-methyl-11-aza-tricyclo[12.4.0.03,8]octadeca-1(1...)
Show SMILES CN1CCc2ccccc2Cc2ccccc2CC1
Show InChI InChI=1S/C18H21N/c1-19-12-10-15-6-2-4-8-17(15)14-18-9-5-3-7-16(18)11-13-19/h2-9H,10-14H2,1H3
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3.47n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D1 receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50184428
PNG
(4-Chloro-3-hydroxy-7-methyl-5,6,7,8,9,14-hexahydro...)
Show SMILES CN1CCc2ccccc2Cc2ccc(O)c(Cl)c2CC1
Show InChI InChI=1S/C18H20ClNO/c1-20-10-8-13-4-2-3-5-14(13)12-15-6-7-17(21)18(19)16(15)9-11-20/h2-7,21H,8-12H2,1H3
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3.55n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D2L receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50110310
PNG
((3-Methyl-quinolin-4-yl)-(6-piperidin-1-yl-hexyl)-...)
Show SMILES Cc1cnc2ccccc2c1NCCCCCCN1CCCCC1
Show InChI InChI=1S/C21H31N3/c1-18-17-23-20-12-6-5-11-19(20)21(18)22-13-7-2-3-8-14-24-15-9-4-10-16-24/h5-6,11-12,17H,2-4,7-10,13-16H2,1H3,(H,22,23)
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3.60n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Affinity for displacement of [125I]-iodoproxyfan from human histamine H3 receptors stably expressed in CHO cells


J Med Chem 45: 1128-41 (2002)


BindingDB Entry DOI: 10.7270/Q2H70F4V
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50412384
PNG
(CHEMBL508399)
Show SMILES CCN1CCc2ccccc2Cc2ccc(O)cc2CC1
Show InChI InChI=1S/C19H23NO/c1-2-20-11-9-15-5-3-4-6-16(15)13-17-7-8-19(21)14-18(17)10-12-20/h3-8,14,21H,2,9-13H2,1H3
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3.72n/an/an/an/an/an/an/an/a



Friedrich-Schiller-Universit£t Jena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human cloned dopamine D1 receptor


Bioorg Med Chem Lett 18: 3809-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.081
BindingDB Entry DOI: 10.7270/Q23F4QWW
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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3.98n/an/an/an/an/an/an/an/a



Friedrich-Schiller-University Jena

Curated by PDSP Ki Database




Br J Pharmacol 130: 692-8 (2000)


Article DOI: 10.1038/sj.bjp.0703341
BindingDB Entry DOI: 10.7270/Q2M32T9Z
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
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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4n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarization-induced release of [3H]-histamine from rat synaptosomes.


J Med Chem 43: 3335-43 (2000)


BindingDB Entry DOI: 10.7270/Q2RR1XGV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
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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4n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
In vitro binding affinity against rat histamine H3 receptor


J Med Chem 47: 2678-87 (2004)


Article DOI: 10.1021/jm031065q
BindingDB Entry DOI: 10.7270/Q2SQ8ZTC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50091376
PNG
(CHEMBL116270 | CHEMBL80348 | Cyclopropyl-{4-[3-(1H...)
Show SMILES O=NC(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C16H19N3O2/c20-19-16(12-3-4-12)13-5-7-15(8-6-13)21-9-1-2-14-10-17-11-18-14/h5-8,10-12,16H,1-4,9H2,(H,17,18)
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4.40n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarization-induced release of [3H]-histamine from rat synaptosomes.


J Med Chem 43: 3335-43 (2000)


BindingDB Entry DOI: 10.7270/Q2RR1XGV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50091398
PNG
(1-{4-[3-(1H-Imidazol-4-yl)-propoxy]-phenyl}-butan-...)
Show SMILES CCCC(N=O)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C16H21N3O2/c1-2-4-16(19-20)13-6-8-15(9-7-13)21-10-3-5-14-11-17-12-18-14/h6-9,11-12,16H,2-5,10H2,1H3,(H,17,18)
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4.5n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarization-induced release of [3H]-histamine from rat synaptosomes.


J Med Chem 43: 3335-43 (2000)


BindingDB Entry DOI: 10.7270/Q2RR1XGV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50091397
PNG
(1-{4-[3-(1H-Imidazol-4-yl)-propoxy]-phenyl}-pentan...)
Show SMILES CCCCC(N=O)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C17H23N3O2/c1-2-3-6-17(20-21)14-7-9-16(10-8-14)22-11-4-5-15-12-18-13-19-15/h7-10,12-13,17H,2-6,11H2,1H3,(H,18,19)
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4.90n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Histamine H3 receptor antagonist activity in an assay with K+ evoked depolarization-induced release of [3H]-histamine from rat synaptosomes.


J Med Chem 43: 3335-43 (2000)


BindingDB Entry DOI: 10.7270/Q2RR1XGV
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50130257
PNG
((3E)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dim...)
Show SMILES CN(C)CC\C=C1/c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7+
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5.01n/an/an/an/an/an/an/an/a



Friedrich-Schiller-University Jena

Curated by PDSP Ki Database




Br J Pharmacol 130: 692-8 (2000)


Article DOI: 10.1038/sj.bjp.0703341
BindingDB Entry DOI: 10.7270/Q2M32T9Z
More data for this
Ligand-Target Pair
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