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Compile Data Set for Download or QSAR

Found 3469 hits Enz. Inhib. hit(s) with Target = 'Histamine H1 Receptor'   
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 H1 receptor


(Homo sapiens (Human))
BDBM22566
PNG
(5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
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PubMed
977 -34.3n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 7094-8 (2008)


Article DOI: 10.1021/jm8007618
BindingDB Entry DOI: 10.7270/Q2862DS6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM26226
PNG
((12S,17S)-6-(piperazin-1-yl)-11-oxa-3,5-diazatetra...)
Show SMILES [H][C@]12CCCC[C@@]1([H])C1=C(CCc3c(nc(N)nc13)N1CCNCC1)O2 |r,t:9|
Show InChI InChI=1S/C18H25N5O/c19-18-21-16-12(17(22-18)23-9-7-20-8-10-23)5-6-14-15(16)11-3-1-2-4-13(11)24-14/h11,13,20H,1-10H2,(H2,19,21,22)/t11-,13+/m1/s1
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3.55E+3 -31.1n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 7094-8 (2008)


Article DOI: 10.1021/jm8007618
BindingDB Entry DOI: 10.7270/Q2862DS6
More data for this
Ligand-Target Pair
Histamine H1 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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>1.00E+4>-28.5n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 5423-30 (2008)


Article DOI: 10.1021/jm8003625
BindingDB Entry DOI: 10.7270/Q21G0JK0
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
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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>1.00E+4>-28.5n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 5423-30 (2008)


Article DOI: 10.1021/jm8003625
BindingDB Entry DOI: 10.7270/Q21G0JK0
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM27193
PNG
((1R,2S,5S,6S,9R,12S,13R,16S)-N,N,6,7,13-pentamethy...)
Show SMILES [H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)C)[C@]2([H])CC[C@]13[H] |r,t:14|
Show InChI InChI=1S/C24H40N2/c1-16-20-8-9-22-19-7-6-17-14-18(25(3)4)10-12-23(17,2)21(19)11-13-24(20,22)15-26(16)5/h6,16,18-22H,7-15H2,1-5H3/t16-,18-,19+,20+,21-,22-,23-,24-/m0/s1
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>1.00E+4>-28.5n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 5423-30 (2008)


Article DOI: 10.1021/jm8003625
BindingDB Entry DOI: 10.7270/Q21G0JK0
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM293397
PNG
(US10106522, Example 1)
Show SMILES CCOCCn1c(nc2ccccc12)C1CCN(CCO)CC1
Show InChI InChI=1S/C18H27N3O2/c1-2-23-14-12-21-17-6-4-3-5-16(17)19-18(21)15-7-9-20(10-8-15)11-13-22/h3-6,15,22H,2,7-14H2,1H3
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n/an/a 25n/an/an/an/a7.425



Faes Farma, S.A.

US Patent


Assay Description
Affinity for histamine H1-receptor was determined by binding studies to H1 receptors. The sample used is a suspension of membranes of CHO cells trans...


US Patent US10106522 (2018)


BindingDB Entry DOI: 10.7270/Q2TF00DX
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM293413
PNG
(US10106522, Compound I-3 in CN 103896915)
Show SMILES OC(=O)Cc1ccc(OCCN2CCC(CC2)c2nc3ccccc3n2CCOc2ccccc2)cc1
Show InChI InChI=1S/C30H33N3O4/c34-29(35)22-23-10-12-26(13-11-23)36-20-18-32-16-14-24(15-17-32)30-31-27-8-4-5-9-28(27)33(30)19-21-37-25-6-2-1-3-7-25/h1-13,24H,14-22H2,(H,34,35)
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n/an/a 271n/an/an/an/a7.425



Faes Farma, S.A.

US Patent


Assay Description
Affinity for histamine H1-receptor was determined by binding studies to H1 receptors. The sample used is a suspension of membranes of CHO cells trans...


US Patent US10106522 (2018)


BindingDB Entry DOI: 10.7270/Q2TF00DX
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM293412
PNG
(US10106522, Compound I-8 in CN 103896915)
Show SMILES CCOCCn1c(nc2ccccc12)C1CCN(CCOc2ccc(CC(O)=O)cc2)CC1
Show InChI InChI=1S/C26H33N3O4/c1-2-32-17-16-29-24-6-4-3-5-23(24)27-26(29)21-11-13-28(14-12-21)15-18-33-22-9-7-20(8-10-22)19-25(30)31/h3-10,21H,2,11-19H2,1H3,(H,30,31)
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n/an/a 1.99E+3n/an/an/an/a7.425



Faes Farma, S.A.

US Patent


Assay Description
Affinity for histamine H1-receptor was determined by binding studies to H1 receptors. The sample used is a suspension of membranes of CHO cells trans...


US Patent US10106522 (2018)


BindingDB Entry DOI: 10.7270/Q2TF00DX
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM293411
PNG
(US10106522, Example 5 in EP 0580541)
Show SMILES CCOCCn1c(nc2ccccc12)C1CCN(CCc2ccc(cc2)C(C)(C)C)CC1
Show InChI InChI=1S/C28H39N3O/c1-5-32-21-20-31-26-9-7-6-8-25(26)29-27(31)23-15-18-30(19-16-23)17-14-22-10-12-24(13-11-22)28(2,3)4/h6-13,23H,5,14-21H2,1-4H3
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n/an/a 424n/an/an/an/a7.425



Faes Farma, S.A.

US Patent


Assay Description
Affinity for histamine H1-receptor was determined by binding studies to H1 receptors. The sample used is a suspension of membranes of CHO cells trans...


US Patent US10106522 (2018)


BindingDB Entry DOI: 10.7270/Q2TF00DX
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM293410
PNG
(US10106522, Example 9)
Show SMILES COC(=O)COCCN1CCC(CC1)c1nc2ccccc2n1CCOc1ccccc1
Show InChI InChI=1S/C25H31N3O4/c1-30-24(29)19-31-17-15-27-13-11-20(12-14-27)25-26-22-9-5-6-10-23(22)28(25)16-18-32-21-7-3-2-4-8-21/h2-10,20H,11-19H2,1H3
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n/an/a 195n/an/an/an/a7.425



Faes Farma, S.A.

US Patent


Assay Description
Affinity for histamine H1-receptor was determined by binding studies to H1 receptors. The sample used is a suspension of membranes of CHO cells trans...


US Patent US10106522 (2018)


BindingDB Entry DOI: 10.7270/Q2TF00DX
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM293414
PNG
(US10106522, Compound I-11 in CN 103896915)
Show SMILES OC(=O)c1ccc(OCCN2CCC(CC2)c2nc3ccccc3n2CCOc2ccccc2)cc1
Show InChI InChI=1S/C29H31N3O4/c33-29(34)23-10-12-25(13-11-23)35-20-18-31-16-14-22(15-17-31)28-30-26-8-4-5-9-27(26)32(28)19-21-36-24-6-2-1-3-7-24/h1-13,22H,14-21H2,(H,33,34)
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n/an/a 260n/an/an/an/a7.425



Faes Farma, S.A.

US Patent


Assay Description
Affinity for histamine H1-receptor was determined by binding studies to H1 receptors. The sample used is a suspension of membranes of CHO cells trans...


US Patent US10106522 (2018)


BindingDB Entry DOI: 10.7270/Q2TF00DX
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM293400
PNG
(US10106522, Example 2)
Show SMILES CCOCCOCCN1CCC(CC1)c1nc2ccccc2n1CCOCC
Show InChI InChI=1S/C22H35N3O3/c1-3-26-16-14-25-21-8-6-5-7-20(21)23-22(25)19-9-11-24(12-10-19)13-15-28-18-17-27-4-2/h5-8,19H,3-4,9-18H2,1-2H3
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n/an/a 115n/an/an/an/a7.425



Faes Farma, S.A.

US Patent


Assay Description
Affinity for histamine H1-receptor was determined by binding studies to H1 receptors. The sample used is a suspension of membranes of CHO cells trans...


US Patent US10106522 (2018)


BindingDB Entry DOI: 10.7270/Q2TF00DX
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM293403
PNG
(US10106522, Example 3)
Show SMILES CCOCCn1c(nc2ccccc12)C1CCN(CCCO)CC1
Show InChI InChI=1S/C19H29N3O2/c1-2-24-15-13-22-18-7-4-3-6-17(18)20-19(22)16-8-11-21(12-9-16)10-5-14-23/h3-4,6-7,16,23H,2,5,8-15H2,1H3
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n/an/a 28n/an/an/an/a7.425



Faes Farma, S.A.

US Patent


Assay Description
Affinity for histamine H1-receptor was determined by binding studies to H1 receptors. The sample used is a suspension of membranes of CHO cells trans...


US Patent US10106522 (2018)


BindingDB Entry DOI: 10.7270/Q2TF00DX
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM293406
PNG
(US10106522, Example 4)
Show SMILES CCOCCn1c(nc2ccccc12)C1CCN(CCOC)CC1
Show InChI InChI=1S/C19H29N3O2/c1-3-24-15-13-22-18-7-5-4-6-17(18)20-19(22)16-8-10-21(11-9-16)12-14-23-2/h4-7,16H,3,8-15H2,1-2H3
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n/an/a 93n/an/an/an/a7.425



Faes Farma, S.A.

US Patent


Assay Description
Affinity for histamine H1-receptor was determined by binding studies to H1 receptors. The sample used is a suspension of membranes of CHO cells trans...


US Patent US10106522 (2018)


BindingDB Entry DOI: 10.7270/Q2TF00DX
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM293407
PNG
(US10106522, Example 5)
Show SMILES CCOCCn1c(nc2ccccc12)C1CCN(CCOC(C)=O)CC1
Show InChI InChI=1S/C20H29N3O3/c1-3-25-14-13-23-19-7-5-4-6-18(19)21-20(23)17-8-10-22(11-9-17)12-15-26-16(2)24/h4-7,17H,3,8-15H2,1-2H3
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n/an/a 54n/an/an/an/a7.425



Faes Farma, S.A.

US Patent


Assay Description
Affinity for histamine H1-receptor was determined by binding studies to H1 receptors. The sample used is a suspension of membranes of CHO cells trans...


US Patent US10106522 (2018)


BindingDB Entry DOI: 10.7270/Q2TF00DX
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM293408
PNG
(US10106522, Example 7)
Show SMILES OCCN1CCC(CC1)c1nc2ccccc2n1Cc1ccccn1
Show InChI InChI=1S/C20H24N4O/c25-14-13-23-11-8-16(9-12-23)20-22-18-6-1-2-7-19(18)24(20)15-17-5-3-4-10-21-17/h1-7,10,16,25H,8-9,11-15H2
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n/an/a 175n/an/an/an/a7.425



Faes Farma, S.A.

US Patent


Assay Description
Affinity for histamine H1-receptor was determined by binding studies to H1 receptors. The sample used is a suspension of membranes of CHO cells trans...


US Patent US10106522 (2018)


BindingDB Entry DOI: 10.7270/Q2TF00DX
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM293409
PNG
(US10106522, Example 8)
Show SMILES CCOCCn1c(nc2ccccc12)C1CCN(CCOCC(=O)OCC)CC1
Show InChI InChI=1S/C22H33N3O4/c1-3-27-16-14-25-20-8-6-5-7-19(20)23-22(25)18-9-11-24(12-10-18)13-15-28-17-21(26)29-4-2/h5-8,18H,3-4,9-17H2,1-2H3
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n/an/a 169n/an/an/an/a7.425



Faes Farma, S.A.

US Patent


Assay Description
Affinity for histamine H1-receptor was determined by binding studies to H1 receptors. The sample used is a suspension of membranes of CHO cells trans...


US Patent US10106522 (2018)


BindingDB Entry DOI: 10.7270/Q2TF00DX
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM22566
PNG
(5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
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>1.00E+3>-34.2n/an/an/an/an/a7.525



Johnson & Johnson Pharmaceutical



Assay Description
The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.


J Pharmacol Exp Ther 309: 404-13 (2004)


Article DOI: 10.1124/jpet.103.061754
BindingDB Entry DOI: 10.7270/Q2VX0DTD
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM22566
PNG
(5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
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>1.00E+4>-28.5n/an/an/an/an/a7.525



Johnson & Johnson Pharmaceutical



Assay Description
The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.


J Pharmacol Exp Ther 309: 404-13 (2004)


Article DOI: 10.1124/jpet.103.061754
BindingDB Entry DOI: 10.7270/Q2VX0DTD
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Mus musculus (mouse))
BDBM22566
PNG
(5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
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>1.00E+4>-28.5n/an/an/an/an/a7.525



Johnson & Johnson Pharmaceutical



Assay Description
The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.


J Pharmacol Exp Ther 309: 404-13 (2004)


Article DOI: 10.1124/jpet.103.061754
BindingDB Entry DOI: 10.7270/Q2VX0DTD
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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US Patent
20.6 -43.9n/an/an/an/an/a7.625



Eli Lilly and Company

US Patent


Assay Description
[3H]-Pyrilamine binding experiments are carried out in SPA (scintillation proximity assay) 96-well format. Membranes used in this assay are prepared ...


US Patent US9481688 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QRW
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM255474
PNG
(US9481688, 1 | US9481688, 3)
Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)
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US Patent
58.8 -41.3n/an/an/an/an/a7.625



Eli Lilly and Company

US Patent


Assay Description
[3H]-Pyrilamine binding experiments are carried out in SPA (scintillation proximity assay) 96-well format. Membranes used in this assay are prepared ...


US Patent US9481688 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QRW
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM81541
PNG
(CAS_195530 | NSC_195530 | S-Beta-Dimethylhistamine...)
Show SMILES CC(N)C(C)c1cnc[nH]1
Show InChI InChI=1S/C7H13N3/c1-5(6(2)8)7-3-9-4-10-7/h3-6H,8H2,1-2H3,(H,9,10)
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0.0300n/an/an/an/an/an/an/an/a



Queen's Medical Centre

Curated by PDSP Ki Database




Biochem Soc Trans 20: 122-5 (1992)


Article DOI: 10.1042/bst0200122
BindingDB Entry DOI: 10.7270/Q2RX99KH
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50017721
PNG
(1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16|
Show InChI InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
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0.0600n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




Eur J Biochem 224: 489-95 (1994)


Article DOI: 10.1111/j.1432-1033.1994.00489.x
BindingDB Entry DOI: 10.7270/Q2H70DB4
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM82479
PNG
(CAS_132539-06-1 | NSC_4585 | OLANZAPINE | USRE4934...)
Show SMILES CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,18H,7-10H2,1-2H3
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0.0870n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research and Mayo Clinic

Curated by PDSP Ki Database




Life Sci 68: 29-39 (2000)


Article DOI: 10.1016/s0024-3205(00)00911-5
BindingDB Entry DOI: 10.7270/Q2057DHP
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50079527
PNG
((3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimet...)
Show SMILES CN(C)CC\C=C1\c2ccccc2COc2ccccc12
Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-
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0.0900n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by PDSP Ki Database




J Pharmacol Exp Ther 302: 328-36 (2002)


Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418268
PNG
(CHEMBL1767137)
Show SMILES COc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1 |r|
Show InChI InChI=1S/C22H25N3O2/c1-24-13-5-6-17(24)15-25-22(26)20-8-4-3-7-19(20)21(23-25)14-16-9-11-18(27-2)12-10-16/h3-4,7-12,17H,5-6,13-15H2,1-2H3/t17-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50017721
PNG
(1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16|
Show InChI InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
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0.100n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




Eur J Biochem 224: 489-95 (1994)


Article DOI: 10.1111/j.1432-1033.1994.00489.x
BindingDB Entry DOI: 10.7270/Q2H70DB4
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002099
PNG
(CHEMBL366965 | Dimethyl-[3-(2-methyl-6H-dibenzo[b,...)
Show SMILES CN(C)CC\C=C1/c2ccccc2COc2ccc(C)cc12
Show InChI InChI=1S/C20H23NO/c1-15-10-11-20-19(13-15)18(9-6-12-21(2)3)17-8-5-4-7-16(17)14-22-20/h4-5,7-11,13H,6,12,14H2,1-3H3/b18-9+
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0.130n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM


J Med Chem 35: 2074-84 (1992)


BindingDB Entry DOI: 10.7270/Q2N87BC0
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50002087
PNG
(4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thi...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccsc2-[#6](=O)-[#6]-c2ccccc-12
Show InChI InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3
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0.158n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay


J Med Chem 53: 7778-95 (2010)


Article DOI: 10.1021/jm100856p
BindingDB Entry DOI: 10.7270/Q2FQ9WWQ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418267
PNG
(CHEMBL1767138)
Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(O)cc2)c2ccccc2c1=O |r|
Show InChI InChI=1S/C21H23N3O2/c1-23-12-4-5-16(23)14-24-21(26)19-7-3-2-6-18(19)20(22-24)13-15-8-10-17(25)11-9-15/h2-3,6-11,16,25H,4-5,12-14H2,1H3/t16-/m1/s1
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0.158n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50391708
PNG
(CHEMBL1767136)
Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O |r|
Show InChI InChI=1S/C21H22ClN3O/c1-24-12-4-5-17(24)14-25-21(26)19-7-3-2-6-18(19)20(23-25)13-15-8-10-16(22)11-9-15/h2-3,6-11,17H,4-5,12-14H2,1H3/t17-/m1/s1
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0.158n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50079527
PNG
((3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimet...)
Show SMILES CN(C)CC\C=C1\c2ccccc2COc2ccccc12
Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-
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0.160n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by PDSP Ki Database




J Pharmacol Exp Ther 302: 328-36 (2002)


Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM84994
PNG
(CAS_163091 | NSC_163091 | ORG-5222)
Show SMILES CN1CC2C(C1)c1cc(Cl)ccc1Oc1ccccc21
Show InChI InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3
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0.160n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




Psychopharmacology (Berl) 124: 57-73 (1996)


Article DOI: 10.1007/bf02245606
BindingDB Entry DOI: 10.7270/Q2610XV6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50391708
PNG
(CHEMBL1767136)
Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O |r|
Show InChI InChI=1S/C21H22ClN3O/c1-24-12-4-5-17(24)14-25-21(26)19-7-3-2-6-18(19)20(23-25)13-15-8-10-16(22)11-9-15/h2-3,6-11,17H,4-5,12-14H2,1H3/t17-/m1/s1
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0.162n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human H1 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay


Bioorg Med Chem 20: 6097-108 (2012)


Article DOI: 10.1016/j.bmc.2012.08.032
BindingDB Entry DOI: 10.7270/Q2NG4RQC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50020712
PNG
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
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0.170n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 1305-22 (1997)


BindingDB Entry DOI: 10.7270/Q25Q4TMX
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50079527
PNG
((3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimet...)
Show SMILES CN(C)CC\C=C1\c2ccccc2COc2ccccc12
Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-
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0.170n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




Psychopharmacology (Berl) 114: 559-65 (1994)


Article DOI: 10.1007/BF02244985
BindingDB Entry DOI: 10.7270/Q25X27FZ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM112780
PNG
(US8629135, SW-07)
Show SMILES CN(C)CC\C=C1/c2ccccc2COc2ccccc12
Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+
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0.178n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00125
BindingDB Entry DOI: 10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50079527
PNG
((3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimet...)
Show SMILES CN(C)CC\C=C1\c2ccccc2COc2ccccc12
Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-
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0.178n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting


J Med Chem 54: 8195-206 (2011)


Article DOI: 10.1021/jm2011589
BindingDB Entry DOI: 10.7270/Q2QF8T85
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM22872
PNG
(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3
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0.190n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from human cloned histamine H1 receptor expressed in CHO cells


J Med Chem 53: 7021-34 (2010)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418266
PNG
(CHEMBL1767141)
Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(C)cc2)c2ccccc2c1=O |r|
Show InChI InChI=1S/C22H25N3O/c1-16-9-11-17(12-10-16)14-21-19-7-3-4-8-20(19)22(26)25(23-21)15-18-6-5-13-24(18)2/h3-4,7-12,18H,5-6,13-15H2,1-2H3/t18-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM22869
PNG
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3
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0.230n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




Psychopharmacology (Berl) 124: 57-73 (1996)


Article DOI: 10.1007/bf02245606
BindingDB Entry DOI: 10.7270/Q2610XV6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418265
PNG
(CHEMBL1767149)
Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(F)c(F)c2)c2ccccc2c1=O |r|
Show InChI InChI=1S/C21H21F2N3O/c1-25-10-4-5-15(25)13-26-21(27)17-7-3-2-6-16(17)20(24-26)12-14-8-9-18(22)19(23)11-14/h2-3,6-9,11,15H,4-5,10,12-13H2,1H3/t15-/m1/s1
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0.251n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50391698
PNG
(CHEMBL2146801)
Show SMILES COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O |r|
Show InChI InChI=1S/C22H25ClN4O2/c1-29-12-11-26-10-2-3-18(26)15-27-22(28)19-8-9-24-14-20(19)21(25-27)13-16-4-6-17(23)7-5-16/h4-9,14,18H,2-3,10-13,15H2,1H3/t18-/m1/s1
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0.251n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human H1 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay


Bioorg Med Chem 20: 6097-108 (2012)


Article DOI: 10.1016/j.bmc.2012.08.032
BindingDB Entry DOI: 10.7270/Q2NG4RQC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418298
PNG
(CHEMBL1767134)
Show SMILES CN(C)CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
Show InChI InChI=1S/C19H20ClN3O/c1-22(2)11-12-23-19(24)17-6-4-3-5-16(17)18(21-23)13-14-7-9-15(20)10-8-14/h3-10H,11-13H2,1-2H3
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0.251n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50079527
PNG
((3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimet...)
Show SMILES CN(C)CC\C=C1\c2ccccc2COc2ccccc12
Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-
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0.251n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human wild type N-terminal hemagglutinin-tagged histamine H1 receptor expressed in HEK293T cells after 4 hrs by m...


J Med Chem 59: 9047-9061 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00981
BindingDB Entry DOI: 10.7270/Q2G44S8Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50079527
PNG
((3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimet...)
Show SMILES CN(C)CC\C=C1\c2ccccc2COc2ccccc12
Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-
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0.280n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by PDSP Ki Database




J Pharmacol Exp Ther 302: 328-36 (2002)


Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50315206
PNG
((R)-2-(6-fluoro-3-(1-(thiazol-2-yl)ethyl)-1H-inden...)
Show SMILES C[C@H](C1=C(CCN(C)C)Cc2cc(F)ccc12)c1nccs1 |r,c:2|
Show InChI InChI=1S/C18H21FN2S/c1-12(18-20-7-9-22-18)17-13(6-8-21(2)3)10-14-11-15(19)4-5-16(14)17/h4-5,7,9,11-12H,6,8,10H2,1-3H3/t12-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Binding affinity at histamine H1 receptor


Bioorg Med Chem Lett 20: 2629-33 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.055
BindingDB Entry DOI: 10.7270/Q2NG4QSV
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [3H]7-OH-DPAT binding to Histamine H1 receptor in rat tissue homogenate


J Med Chem 45: 344-59 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3G26
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002087
PNG
(4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thi...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccsc2-[#6](=O)-[#6]-c2ccccc-12
Show InChI InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3
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0.310n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
The compound was tested in vitro for binding affinity against histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand a...


J Med Chem 35: 2074-84 (1992)


BindingDB Entry DOI: 10.7270/Q2N87BC0
More data for this
Ligand-Target Pair
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