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Compile Data Set for Download or QSAR

Found 253 hits of kd data for polymerid = 2295,2296,49000655   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50391709
PNG
(CHEMBL2146802)
Show SMILES CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
Show InChI InChI=1S/C24H28ClN3O/c1-2-3-14-27-15-6-7-20(27)17-28-24(29)22-9-5-4-8-21(22)23(26-28)16-18-10-12-19(25)13-11-18/h4-5,8-13,20H,2-3,6-7,14-17H2,1H3/t20-/m1/s1
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n/an/an/a 0.0398n/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity against human CHO cells H1 receptor at 100 nM after 30 mins by FLIPR assay


Bioorg Med Chem 20: 6097-108 (2012)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12
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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n/an/an/a 0.0870n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H1 receptor


J Med Chem 54: 26-53 (2011)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50391697
PNG
(CHEMBL2146806)
Show SMILES CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O
Show InChI InChI=1S/C23H27ClN4O/c1-2-3-12-27-13-4-5-19(27)16-28-23(29)20-10-11-25-15-21(20)22(26-28)14-17-6-8-18(24)9-7-17/h6-11,15,19H,2-5,12-14,16H2,1H3/t19-/m1/s1
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n/an/an/a 0.100n/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity against human CHO cells H1 receptor at 100 nM after 30 mins by FLIPR assay


Bioorg Med Chem 20: 6097-108 (2012)

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
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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n/an/an/a 0.100n/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity against human CHO cells H1 receptor at 100 nM after 30 mins by FLIPR assay


Bioorg Med Chem 20: 6097-108 (2012)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50292411
PNG
((E)-2-(3-(pyrrolidin-1-yl)-1-p-tolylprop-1-enyl)py...)
Show SMILES Cc1ccc(cc1)C(=C/CN1CCCC1)\c1ccccn1
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/b18-11+
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n/an/an/a 0.126n/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Potency against histamine H1 receptor on guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50341448
PNG
(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Show SMILES CN1CCCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
Show InChI InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3
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n/an/an/a 0.200n/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity against human CHO cells H1 receptor at 100 nM after 30 mins by FLIPR assay


Bioorg Med Chem 20: 6097-108 (2012)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50341448
PNG
(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Show SMILES CN1CCCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
Show InChI InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3
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n/an/an/a 0.200n/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)

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
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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n/an/an/a 0.251n/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity against human CHO cells H1 receptor at 100 nM after 30 mins by FLIPR assay


Bioorg Med Chem 20: 6097-108 (2012)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50391700
PNG
(CHEMBL2146807)
Show SMILES CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O
Show InChI InChI=1S/C23H27ClN4O/c1-2-3-13-27-14-5-6-19(27)16-28-23(29)22-20(7-4-12-25-22)21(26-28)15-17-8-10-18(24)11-9-17/h4,7-12,19H,2-3,5-6,13-16H2,1H3/t19-/m1/s1
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n/an/an/a 0.316n/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity against human CHO cells H1 receptor at 100 nM after 30 mins by FLIPR assay


Bioorg Med Chem 20: 6097-108 (2012)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50391702
PNG
(CHEMBL2146809)
Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O
Show InChI InChI=1S/C20H21ClN4O/c1-24-11-3-4-16(24)13-25-20(26)17-5-2-10-22-19(17)18(23-25)12-14-6-8-15(21)9-7-14/h2,5-10,16H,3-4,11-13H2,1H3/t16-/m1/s1
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n/an/an/a 0.316n/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity against human CHO cells H1 receptor at 100 nM after 30 mins by FLIPR assay


Bioorg Med Chem 20: 6097-108 (2012)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50391707
PNG
(CHEMBL2146805)
Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O
Show InChI InChI=1S/C20H21ClN4O/c1-24-10-2-3-16(24)13-25-20(26)17-8-9-22-12-18(17)19(23-25)11-14-4-6-15(21)7-5-14/h4-9,12,16H,2-3,10-11,13H2,1H3/t16-/m1/s1
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n/an/an/a 0.316n/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity against human CHO cells H1 receptor at 100 nM after 30 mins by FLIPR assay


Bioorg Med Chem 20: 6097-108 (2012)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM22567
PNG
(3H]pyrilamine | CHEMBL511 | Dorantamin | MEPYRAMIN...)
Show SMILES COc1ccc(CN(CCN(C)C)c2ccccn2)cc1
Show InChI InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3
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n/an/an/a 0.380n/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Histamine H1 receptor antagonistic activity in guinea pig ileum using fluorescence-labeled H1 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50391699
PNG
(CHEMBL2146484)
Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O
Show InChI InChI=1S/C20H21ClN4O/c1-24-11-3-4-16(24)13-25-20(26)19-17(5-2-10-22-19)18(23-25)12-14-6-8-15(21)9-7-14/h2,5-10,16H,3-4,11-13H2,1H3/t16-/m1/s1
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n/an/an/a 0.501n/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity against human CHO cells H1 receptor at 100 nM after 30 mins by FLIPR assay


Bioorg Med Chem 20: 6097-108 (2012)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50403673
PNG
(CHEMBL313301)
Show SMILES CN(C)CCc1cnc([nH]1)-c1cccc(Br)c1
Show InChI InChI=1S/C13H16BrN3/c1-17(2)7-6-12-9-15-13(16-12)10-4-3-5-11(14)8-10/h3-5,8-9H,6-7H2,1-2H3,(H,15,16)
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n/an/an/a 0.708n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Contractile effects antagonized by mepyramine (0.3-100 nM) against Histamine H1 receptor in guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM22863
PNG
(2-(3-Bromophenyl)histamine | 2-[2-(3-bromophenyl)-...)
Show SMILES NCCc1cnc([nH]1)-c1cccc(Br)c1
Show InChI InChI=1S/C11H12BrN3/c12-9-3-1-2-8(6-9)11-14-7-10(15-11)4-5-13/h1-3,6-7H,4-5,13H2,(H,14,15)
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n/an/an/a 0.741n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Contractile effects antagonized by mepyramine (0.3-100 nM) against Histamine H1 receptor in guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86175
PNG
(Methylhistaprodifen | N-Methyl-2-(3,3-diphenylprop...)
Show SMILES CNCCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
Show InChI InChI=1S/C21H25N3/c1-22-15-14-19-16-23-21(24-19)13-12-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,20,22H,12-15H2,1H3,(H,23,24)
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n/an/an/a 0.741n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Antagonism of guinea pig ileum contraction at 100 nM mepyramine


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50403678
PNG
(CHEMBL87583)
Show SMILES FC(F)(F)c1cccc(c1)-c1ncc(CCNC2CC2)[nH]1
Show InChI InChI=1S/C15H16F3N3/c16-15(17,18)11-3-1-2-10(8-11)14-20-9-13(21-14)6-7-19-12-4-5-12/h1-3,8-9,12,19H,4-7H2,(H,20,21)
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n/an/an/a 0.741n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Contractile effects antagonized by mepyramine (0.3-100 nM) against Histamine H1 receptor in guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50403677
PNG
(CHEMBL88075)
Show SMILES CNCCc1cnc([nH]1)-c1cccc(Br)c1
Show InChI InChI=1S/C12H14BrN3/c1-14-6-5-11-8-15-12(16-11)9-3-2-4-10(13)7-9/h2-4,7-8,14H,5-6H2,1H3,(H,15,16)
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n/an/an/a 0.741n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Contractile effects antagonized by mepyramine (0.3-100 nM) against Histamine H1 receptor in guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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n/an/an/a 0.776n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Compound was evaluated for mepyramine antagonism effects in guinea pig ileum (contraction) at a mepyramine concentration of 100 nM


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86170
PNG
(Dimethylhistaprodifen | N,N-Dimethyl-2-(3,3-diphen...)
Show SMILES CN(C)CCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
Show InChI InChI=1S/C22H27N3/c1-25(2)16-15-20-17-23-22(24-20)14-13-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,21H,13-16H2,1-2H3,(H,23,24)
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n/an/an/a 0.776n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Antagonism of guinea pig ileum contraction at 100 nM mepyramine


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM22864
PNG
(2-[2-(3,3-diphenylpropyl)-1H-imidazol-4-yl]ethan-1...)
Show SMILES NCCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
Show InChI InChI=1S/C20H23N3/c21-14-13-18-15-22-20(23-18)12-11-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,19H,11-14,21H2,(H,22,23)
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n/an/an/a 0.776n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Antagonism of guinea pig ileum contraction at 100 nM mepyramine


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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n/an/an/a 0.776n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Compound was tested for the contractile effects antagonized by mepyramine (1-1000 nM) against Histamine H1 receptor of guinea pig aorta.


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50341447
PNG
(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)
Show SMILES Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C39H49ClN4O2/c40-33-19-15-32(16-20-33)29-38-36-13-3-4-14-37(36)39(45)44(41-38)30-34-12-9-27-43(34)26-8-5-11-31-17-21-35(22-18-31)46-28-10-25-42-23-6-1-2-7-24-42/h3-4,13-22,34H,1-2,5-12,23-30H2/t34-/m1/s1
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n/an/an/a 0.794n/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity against human CHO cells H1 receptor at 100 nM after 30 mins by FLIPR assay


Bioorg Med Chem 20: 6097-108 (2012)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50391701
PNG
(CHEMBL2146808)
Show SMILES COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O
Show InChI InChI=1S/C22H25ClN4O2/c1-29-13-12-26-11-3-4-18(26)15-27-22(28)21-19(5-2-10-24-21)20(25-27)14-16-6-8-17(23)9-7-16/h2,5-10,18H,3-4,11-15H2,1H3/t18-/m1/s1
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n/an/an/a 0.794n/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity against human CHO cells H1 receptor at 100 nM after 30 mins by FLIPR assay


Bioorg Med Chem 20: 6097-108 (2012)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50341447
PNG
(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)
Show SMILES Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C39H49ClN4O2/c40-33-19-15-32(16-20-33)29-38-36-13-3-4-14-37(36)39(45)44(41-38)30-34-12-9-27-43(34)26-8-5-11-31-17-21-35(22-18-31)46-28-10-25-42-23-6-1-2-7-24-42/h3-4,13-22,34H,1-2,5-12,23-30H2/t34-/m1/s1
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n/an/an/a 0.794n/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)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50403676
PNG
(CHEMBL86522)
Show SMILES CNCCc1cnc([nH]1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H14F3N3/c1-17-6-5-11-8-18-12(19-11)9-3-2-4-10(7-9)13(14,15)16/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)
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n/an/an/a 0.832n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Compound was tested for the contractile effects antagonized by mepyramine (1-1000 nM) against Histamine H1 receptor of guinea pig aorta.


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM22567
PNG
(3H]pyrilamine | CHEMBL511 | Dorantamin | MEPYRAMIN...)
Show SMILES COc1ccc(CN(CCN(C)C)c2ccccn2)cc1
Show InChI InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3
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n/an/an/a 0.851n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Antagonist activity at H1R in guinea pig ileum assessed as inhibition of histamine-induced muscle contraction after 15 mins


Bioorg Med Chem Lett 21: 6274-80 (2011)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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n/an/an/a 0.851n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Contractile effects antagonized by mepyramine (0.3-100 nM) against Histamine H1 receptor in guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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n/an/an/a 0.851n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Compound was evaluated for mepyramine antagonism effects in guinea pig ileum (contraction) at a mepyramine concentration of 100 nM


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50403672
PNG
(CHEMBL24665)
Show SMILES NCCc1cnc([nH]1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C12H12F3N3/c13-12(14,15)9-3-1-2-8(6-9)11-17-7-10(18-11)4-5-16/h1-3,6-7H,4-5,16H2,(H,17,18)
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n/an/an/a 0.891n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Contractile effects antagonized by mepyramine (0.3-100 nM) against Histamine H1 receptor in guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50403676
PNG
(CHEMBL86522)
Show SMILES CNCCc1cnc([nH]1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H14F3N3/c1-17-6-5-11-8-18-12(19-11)9-3-2-4-10(7-9)13(14,15)16/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)
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n/an/an/a 0.912n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Contractile effects antagonized by mepyramine (0.3-100 nM) against Histamine H1 receptor in guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50409190
PNG
(CHEMBL11879)
Show SMILES C(Cc1ncc(CCN2CCCC2)[nH]1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H29N3/c1-3-9-20(10-4-1)23(21-11-5-2-6-12-21)13-14-24-25-19-22(26-24)15-18-27-16-7-8-17-27/h1-6,9-12,19,23H,7-8,13-18H2,(H,25,26)
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n/an/an/a 0.955n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Compound was evaluated for mepyramine antagonism effects in guinea pig ileum (contraction) at a mepyramine concentration of 100 nM; value ranges from...


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM22864
PNG
(2-[2-(3,3-diphenylpropyl)-1H-imidazol-4-yl]ethan-1...)
Show SMILES NCCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
Show InChI InChI=1S/C20H23N3/c21-14-13-18-15-22-20(23-18)12-11-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,19H,11-14,21H2,(H,22,23)
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n/an/an/a 0.977n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Compound was evaluated for mepyramine antagonism effects in guinea pig aorta (contraction) at a mepyramine concentration of 100 nM


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50403672
PNG
(CHEMBL24665)
Show SMILES NCCc1cnc([nH]1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C12H12F3N3/c13-12(14,15)9-3-1-2-8(6-9)11-17-7-10(18-11)4-5-16/h1-3,6-7H,4-5,16H2,(H,17,18)
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n/an/an/a 0.977n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Compound was tested for the contractile effects antagonized by mepyramine (1-1000 nM) against Histamine H1 receptor of guinea pig aorta.


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50403677
PNG
(CHEMBL88075)
Show SMILES CNCCc1cnc([nH]1)-c1cccc(Br)c1
Show InChI InChI=1S/C12H14BrN3/c1-14-6-5-11-8-15-12(16-11)9-3-2-4-10(13)7-9/h2-4,7-8,14H,5-6H2,1H3,(H,15,16)
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n/an/an/a 0.977n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Compound was tested for the contractile effects antagonized by mepyramine (1-1000 nM) against Histamine H1 receptor of guinea pig aorta.


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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n/an/an/a 1n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Relative potency against Histamine H1 receptor in endothelium-Denuded rings of guinea pig Aorta


J Med Chem 46: 5458-70 (2003)

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 CN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12
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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n/an/an/a 1n/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Potency against histamine H1 receptor on guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50391696
PNG
(CHEMBL2146813)
Show SMILES Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccncc23)cc1
Show InChI InChI=1S/C38H48ClN5O2/c39-32-15-11-31(12-16-32)27-37-36-28-40-20-19-35(36)38(45)44(41-37)29-33-10-7-25-43(33)24-6-3-9-30-13-17-34(18-14-30)46-26-8-23-42-21-4-1-2-5-22-42/h11-20,28,33H,1-10,21-27,29H2/t33-/m1/s1
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n/an/an/a 1n/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity against human CHO cells H1 receptor at 100 nM after 30 mins by FLIPR assay


Bioorg Med Chem 20: 6097-108 (2012)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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n/an/an/a 1n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Compound was evaluated for mepyramine antagonism effects in guinea pig aorta (contraction) at a mepyramine concentration of 100 nM


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50403674
PNG
(CHEMBL88074)
Show SMILES CCNCCc1cnc([nH]1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C14H16F3N3/c1-2-18-7-6-12-9-19-13(20-12)10-4-3-5-11(8-10)14(15,16)17/h3-5,8-9,18H,2,6-7H2,1H3,(H,19,20)
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n/an/an/a 1.05n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Contractile effects antagonized by mepyramine (0.3-100 nM) against Histamine H1 receptor in guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM22567
PNG
(3H]pyrilamine | CHEMBL511 | Dorantamin | MEPYRAMIN...)
Show SMILES COc1ccc(CN(CCN(C)C)c2ccccn2)cc1
Show InChI InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3
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n/an/an/a 1.10n/an/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor in guinea pig ileum assessed as histamine-induced contractions


Eur J Med Chem 44: 1674-81 (2009)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50403675
PNG
(CHEMBL314438)
Show SMILES CN(C)CCc1cnc([nH]1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C14H16F3N3/c1-20(2)7-6-12-9-18-13(19-12)10-4-3-5-11(8-10)14(15,16)17/h3-5,8-9H,6-7H2,1-2H3,(H,18,19)
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n/an/an/a 1.20n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Contractile effects antagonized by mepyramine (0.3-100 nM) against Histamine H1 receptor in guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50403673
PNG
(CHEMBL313301)
Show SMILES CN(C)CCc1cnc([nH]1)-c1cccc(Br)c1
Show InChI InChI=1S/C13H16BrN3/c1-17(2)7-6-12-9-15-13(16-12)10-4-3-5-11(14)8-10/h3-5,8-9H,6-7H2,1-2H3,(H,15,16)
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n/an/an/a 1.20n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Compound was tested for the contractile effects antagonized by mepyramine (1-1000 nM) against Histamine H1 receptor of guinea pig aorta.


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418271
PNG
(CHEMBL1767167)
Show SMILES Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C40H51ClN4O2/c41-34-20-16-33(17-21-34)30-39-37-14-5-6-15-38(37)40(46)45(42-39)31-35-13-10-28-44(35)27-9-3-4-12-32-18-22-36(23-19-32)47-29-11-26-43-24-7-1-2-8-25-43/h5-6,14-23,35H,1-4,7-13,24-31H2/t35-/m1/s1
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n/an/an/a 1.26n/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)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418269
PNG
(CHEMBL1767165)
Show SMILES COc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C40H52N4O3/c1-46-35-20-18-33(19-21-35)30-39-37-14-4-5-15-38(37)40(45)44(41-39)31-34-13-10-28-43(34)27-9-6-12-32-16-22-36(23-17-32)47-29-11-26-42-24-7-2-3-8-25-42/h4-5,14-23,34H,2-3,6-13,24-31H2,1H3/t34-/m1/s1
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n/an/an/a 1.26n/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)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM22863
PNG
(2-(3-Bromophenyl)histamine | 2-[2-(3-bromophenyl)-...)
Show SMILES NCCc1cnc([nH]1)-c1cccc(Br)c1
Show InChI InChI=1S/C11H12BrN3/c12-9-3-1-2-8(6-9)11-14-7-10(15-11)4-5-13/h1-3,6-7H,4-5,13H2,(H,14,15)
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n/an/an/a 1.30n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Compound was tested for the contractile effects antagonized by mepyramine (1-1000 nM) against Histamine H1 receptor of guinea pig aorta.


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86175
PNG
(Methylhistaprodifen | N-Methyl-2-(3,3-diphenylprop...)
Show SMILES CNCCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
Show InChI InChI=1S/C21H25N3/c1-22-15-14-19-16-23-21(24-19)13-12-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,20,22H,12-15H2,1H3,(H,23,24)
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n/an/an/a 1.35n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Antagonism of guinea pig ileum contraction at 100 nM mepyramine


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86170
PNG
(Dimethylhistaprodifen | N,N-Dimethyl-2-(3,3-diphen...)
Show SMILES CN(C)CCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
Show InChI InChI=1S/C22H27N3/c1-25(2)16-15-20-17-23-22(24-20)14-13-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,21H,13-16H2,1-2H3,(H,23,24)
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UniChem
PubMed
n/an/an/a 1.38n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Antagonism of guinea pig ileum contraction at 100 nM mepyramine


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50409188
PNG
(CHEMBL274831)
Show SMILES C(Cc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1)NC1CC1
Show InChI InChI=1S/C23H27N3/c1-3-7-18(8-4-1)22(19-9-5-2-6-10-19)13-14-23-25-17-21(26-23)15-16-24-20-11-12-20/h1-10,17,20,22,24H,11-16H2,(H,25,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/a 1.41n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Antagonism of guinea pig ileum contraction at 100 nM mepyramine


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50403675
PNG
(CHEMBL314438)
Show SMILES CN(C)CCc1cnc([nH]1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C14H16F3N3/c1-20(2)7-6-12-9-18-13(19-12)10-4-3-5-11(8-10)14(15,16)17/h3-5,8-9H,6-7H2,1-2H3,(H,18,19)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/a 1.41n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Compound was tested for the contractile effects antagonized by mepyramine (1-1000 nM) against Histamine H1 receptor of guinea pig aorta.


Citation and Details
More data for this
Ligand-Target Pair
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