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Compile Data Set for Download or QSAR

Found 87 hits with Last Name = 'kreutner' and Initial = 'w'   
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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116078
PNG
(3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...)
Show SMILES CNC(=O)CC1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O
Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+/t22?,27-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Eur J Pharmacol 450: 191-202 (2002)


Article DOI: 10.1016/s0014-2999(02)02124-6
BindingDB Entry DOI: 10.7270/Q2862F1R
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116078
PNG
(3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...)
Show SMILES CNC(=O)CC1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O
Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+/t22?,27-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Eur J Pharmacol 450: 191-202 (2002)


Article DOI: 10.1016/s0014-2999(02)02124-6
BindingDB Entry DOI: 10.7270/Q2862F1R
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50071112
PNG
(CHEMBL56835 | N-[4-(4-Acetylamino-4-phenyl-piperid...)
Show SMILES CN(CC(CCN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)
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0.400n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Eur J Pharmacol 450: 191-202 (2002)


Article DOI: 10.1016/s0014-2999(02)02124-6
BindingDB Entry DOI: 10.7270/Q2862F1R
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50034711
PNG
((1R,2S)-2-(1H-Imidazol-4-yl)-1-methyl-propylamine ...)
Show SMILES C[C@@H](N)[C@H](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)/t5-,6+/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding afinity against Histamine H3 receptor


J Med Chem 38: 1593-9 (1995)


BindingDB Entry DOI: 10.7270/Q2BK1BC1
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116078
PNG
(3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...)
Show SMILES CNC(=O)CC1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O
Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+/t22?,27-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Eur J Pharmacol 450: 191-202 (2002)


Article DOI: 10.1016/s0014-2999(02)02124-6
BindingDB Entry DOI: 10.7270/Q2862F1R
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM22904
PNG
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)
Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Histamine H3 receptor was determined in guinea pig brain tissue using [3H]- N alpha-methylhistamine radioligand


Bioorg Med Chem Lett 8: 243-8 (1999)


BindingDB Entry DOI: 10.7270/Q2ST7P0Z
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM22904
PNG
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)
Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding afinity against Histamine H3 receptor


J Med Chem 38: 1593-9 (1995)


BindingDB Entry DOI: 10.7270/Q2BK1BC1
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50051290
PNG
(CHEMBL299377 | N-(1-{3-[1-Benzoyl-3-(3,4-dichloro-...)
Show SMILES CN(C(C)=O)C1(CCN(CCCC2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3
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1.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Eur J Pharmacol 450: 191-202 (2002)


Article DOI: 10.1016/s0014-2999(02)02124-6
BindingDB Entry DOI: 10.7270/Q2862F1R
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50069825
PNG
(4-Pyrrolidin-3-yl-1H-imidazole | CHEMBL79983)
Show SMILES C1CC(CN1)c1cnc[nH]1
Show InChI InChI=1S/C7H11N3/c1-2-8-3-6(1)7-4-9-5-10-7/h4-6,8H,1-3H2,(H,9,10)
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2n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-N-alpha-methylhistamine binding to guinea pig brain Histamine H3 receptor


Bioorg Med Chem Lett 8: 243-8 (1999)


BindingDB Entry DOI: 10.7270/Q2ST7P0Z
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50069816
PNG
(4-((3R,4R)-4-Methyl-pyrrolidin-3-yl)-1H-imidazole ...)
Show SMILES C[C@H]1CNC[C@@H]1c1cnc[nH]1 |r|
Show InChI InChI=1S/C8H13N3/c1-6-2-9-3-7(6)8-4-10-5-11-8/h4-7,9H,2-3H2,1H3,(H,10,11)/t6-,7-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-N-alpha-methylhistamine binding to guinea pig brain Histamine H3 receptor


Bioorg Med Chem Lett 8: 243-8 (1999)


BindingDB Entry DOI: 10.7270/Q2ST7P0Z
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50034708
PNG
(4-((2R,3S)-2-Methyl-pyrrolidin-3-yl)-1H-imidazole ...)
Show SMILES C[C@H]1NCC[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C8H13N3/c1-6-7(2-3-10-6)8-4-9-5-11-8/h4-7,10H,2-3H2,1H3,(H,9,11)/t6-,7+/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding afinity against Histamine H3 receptor


J Med Chem 38: 1593-9 (1995)


BindingDB Entry DOI: 10.7270/Q2BK1BC1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50034708
PNG
(4-((2R,3S)-2-Methyl-pyrrolidin-3-yl)-1H-imidazole ...)
Show SMILES C[C@H]1NCC[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C8H13N3/c1-6-7(2-3-10-6)8-4-9-5-11-8/h4-7,10H,2-3H2,1H3,(H,9,11)/t6-,7+/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding afinity against Histamine H3 receptor


J Med Chem 38: 1593-9 (1995)


BindingDB Entry DOI: 10.7270/Q2BK1BC1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50034708
PNG
(4-((2R,3S)-2-Methyl-pyrrolidin-3-yl)-1H-imidazole ...)
Show SMILES C[C@H]1NCC[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C8H13N3/c1-6-7(2-3-10-6)8-4-9-5-11-8/h4-7,10H,2-3H2,1H3,(H,9,11)/t6-,7+/m1/s1
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3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-N-alpha-methylhistamine binding to guinea pig brain Histamine H3 receptor


Bioorg Med Chem Lett 8: 243-8 (1999)


BindingDB Entry DOI: 10.7270/Q2ST7P0Z
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50069823
PNG
(4-((3S,4R)-4-Methyl-pyrrolidin-3-yl)-1H-imidazole ...)
Show SMILES C[C@H]1CNC[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C8H13N3/c1-6-2-9-3-7(6)8-4-10-5-11-8/h4-7,9H,2-3H2,1H3,(H,10,11)/t6-,7+/m0/s1
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3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-N-alpha-methylhistamine binding to guinea pig brain Histamine H3 receptor


Bioorg Med Chem Lett 8: 243-8 (1999)


BindingDB Entry DOI: 10.7270/Q2ST7P0Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM22868
PNG
(11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-b...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C20H22N2/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19/h2-7,12H,8-11,13-14H2,1H3
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3.90n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor in rat brain membranes was evaluated using [3H]-pyrilamine as radioligand


J Med Chem 34: 457-61 (1991)


BindingDB Entry DOI: 10.7270/Q2BV7FK0
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50069822
PNG
(4-((3S,4S)-4-Methyl-pyrrolidin-3-yl)-1H-imidazole ...)
Show SMILES C[C@@H]1CNC[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C8H13N3/c1-6-2-9-3-7(6)8-4-10-5-11-8/h4-7,9H,2-3H2,1H3,(H,10,11)/t6-,7-/m1/s1
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5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-N-alpha-methylhistamine binding to guinea pig brain Histamine H3 receptor


Bioorg Med Chem Lett 8: 243-8 (1999)


BindingDB Entry DOI: 10.7270/Q2ST7P0Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM35938
PNG
(1-(p-chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpro...)
Show SMILES CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1
Show InChI InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
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5.5n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor in rat brain membranes was evaluated using [3H]-pyrilamine as radioligand


J Med Chem 34: 457-61 (1991)


BindingDB Entry DOI: 10.7270/Q2BV7FK0
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50069818
PNG
(4-((2R,3S)-2-Methyl-azetidin-3-yl)-1H-imidazole | ...)
Show SMILES C[C@H]1NC[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C7H11N3/c1-5-6(2-9-5)7-3-8-4-10-7/h3-6,9H,2H2,1H3,(H,8,10)/t5-,6+/m1/s1
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7n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-N-alpha-methylhistamine binding to guinea pig brain Histamine H3 receptor


Bioorg Med Chem Lett 8: 243-8 (1999)


BindingDB Entry DOI: 10.7270/Q2ST7P0Z
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50034706
PNG
((1R,2R)-2-(1H-Imidazol-4-yl)-1-methyl-propylamine ...)
Show SMILES C[C@@H](N)[C@@H](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)/t5-,6-/m1/s1
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11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding afinity against Histamine H3 receptor


J Med Chem 38: 1593-9 (1995)


BindingDB Entry DOI: 10.7270/Q2BK1BC1
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50051290
PNG
(CHEMBL299377 | N-(1-{3-[1-Benzoyl-3-(3,4-dichloro-...)
Show SMILES CN(C(C)=O)C1(CCN(CCCC2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3
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20.4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Eur J Pharmacol 450: 191-202 (2002)


Article DOI: 10.1016/s0014-2999(02)02124-6
BindingDB Entry DOI: 10.7270/Q2862F1R
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50007464
PNG
(4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b...)
Show SMILES Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]=O)c1
Show InChI InChI=1S/C20H19ClN2O/c21-17-5-6-18-16(12-17)4-3-15-2-1-9-22-20(15)19(18)14-7-10-23(13-24)11-8-14/h1-2,5-6,9,12-13H,3-4,7-8,10-11H2
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21n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor in rat brain membranes was evaluated using [3H]-pyrilamine as radioligand


J Med Chem 34: 457-61 (1991)


BindingDB Entry DOI: 10.7270/Q2BV7FK0
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50034707
PNG
(4-((2S,3R)-2-Methyl-pyrrolidin-3-yl)-1H-imidazole ...)
Show SMILES C[C@@H]1NCC[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C8H13N3/c1-6-7(2-3-10-6)8-4-9-5-11-8/h4-7,10H,2-3H2,1H3,(H,9,11)/t6-,7+/m0/s1
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33n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding afinity against Histamine H3 receptor


J Med Chem 38: 1593-9 (1995)


BindingDB Entry DOI: 10.7270/Q2BK1BC1
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50007461
PNG
(1-[4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,...)
Show SMILES [#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C22H23ClN2O/c1-2-20(26)25-12-9-15(10-13-25)21-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-22(16)21/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3
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48n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor in rat brain membranes was evaluated using [3H]-pyrilamine as radioligand


J Med Chem 34: 457-61 (1991)


BindingDB Entry DOI: 10.7270/Q2BV7FK0
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50007465
PNG
(1-[4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,...)
Show SMILES [#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C23H25ClN2O/c1-2-4-21(27)26-13-10-16(11-14-26)22-20-9-8-19(24)15-18(20)7-6-17-5-3-12-25-23(17)22/h3,5,8-9,12,15H,2,4,6-7,10-11,13-14H2,1H3
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51n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor in rat brain membranes was evaluated using [3H]-pyrilamine as radioligand


J Med Chem 34: 457-61 (1991)


BindingDB Entry DOI: 10.7270/Q2BV7FK0
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50069819
PNG
(4-((2S,3S)-2-Methyl-pyrrolidin-3-yl)-1H-imidazole ...)
Show SMILES C[C@@H]1NCC[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C8H13N3/c1-6-7(2-3-10-6)8-4-9-5-11-8/h4-7,10H,2-3H2,1H3,(H,9,11)/t6-,7-/m0/s1
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59n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-N-alpha-methylhistamine binding to guinea pig brain Histamine H3 receptor


Bioorg Med Chem Lett 8: 243-8 (1999)


BindingDB Entry DOI: 10.7270/Q2ST7P0Z
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50069817
PNG
(4-((3S,5S)-5-Methyl-pyrrolidin-3-yl)-1H-imidazole ...)
Show SMILES C[C@H]1C[C@@H](CN1)c1cnc[nH]1
Show InChI InChI=1S/C8H13N3/c1-6-2-7(3-10-6)8-4-9-5-11-8/h4-7,10H,2-3H2,1H3,(H,9,11)/t6-,7-/m0/s1
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76n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-N-alpha-methylhistamine binding to guinea pig brain Histamine H3 receptor


Bioorg Med Chem Lett 8: 243-8 (1999)


BindingDB Entry DOI: 10.7270/Q2ST7P0Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50007454
PNG
(1-[4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,...)
Show SMILES [#6]C([#6])([#6])[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C24H27ClN2O/c1-24(2,3)23(28)27-13-10-16(11-14-27)21-20-9-8-19(25)15-18(20)7-6-17-5-4-12-26-22(17)21/h4-5,8-9,12,15H,6-7,10-11,13-14H2,1-3H3
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81n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor in rat brain membranes was evaluated using [3H]-pyrilamine as radioligand


J Med Chem 34: 457-61 (1991)


BindingDB Entry DOI: 10.7270/Q2BV7FK0
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50069820
PNG
(4-((2R,3S)-2-Ethyl-pyrrolidin-3-yl)-1H-imidazole |...)
Show SMILES CC[C@H]1NCC[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C9H15N3/c1-2-8-7(3-4-11-8)9-5-10-6-12-9/h5-8,11H,2-4H2,1H3,(H,10,12)/t7-,8+/m0/s1
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150n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-N-alpha-methylhistamine binding to guinea pig brain Histamine H3 receptor


Bioorg Med Chem Lett 8: 243-8 (1999)


BindingDB Entry DOI: 10.7270/Q2ST7P0Z
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50069815
PNG
(4-((S)-3-Methyl-pyrrolidin-3-yl)-1H-imidazole | CH...)
Show SMILES C[C@@]1(CCNC1)c1cnc[nH]1
Show InChI InChI=1S/C8H13N3/c1-8(2-3-9-5-8)7-4-10-6-11-7/h4,6,9H,2-3,5H2,1H3,(H,10,11)/t8-/m0/s1
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170n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-N-alpha-methylhistamine binding to guinea pig brain Histamine H3 receptor


Bioorg Med Chem Lett 8: 243-8 (1999)


BindingDB Entry DOI: 10.7270/Q2ST7P0Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50007466
PNG
(CHEMBL140924 | [4-(8-Chloro-5,6-dihydro-benzo[5,6]...)
Show SMILES Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-c2ccccc2)c1
Show InChI InChI=1S/C26H23ClN2O/c27-22-10-11-23-21(17-22)9-8-19-7-4-14-28-25(19)24(23)18-12-15-29(16-13-18)26(30)20-5-2-1-3-6-20/h1-7,10-11,14,17H,8-9,12-13,15-16H2
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190n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor in rat brain membranes was evaluated using [3H]-pyrilamine as radioligand


J Med Chem 34: 457-61 (1991)


BindingDB Entry DOI: 10.7270/Q2BV7FK0
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50007470
PNG
(1-[4-(8-Methyl-5,6-dihydro-benzo[5,6]cyclohepta[1,...)
Show SMILES [#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(-[#6])cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C22H24N2O/c1-15-5-8-20-19(14-15)7-6-18-4-3-11-23-22(18)21(20)17-9-12-24(13-10-17)16(2)25/h3-5,8,11,14H,6-7,9-10,12-13H2,1-2H3
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190n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor in rat brain membranes was evaluated using [3H]-pyrilamine as radioligand


J Med Chem 34: 457-61 (1991)


BindingDB Entry DOI: 10.7270/Q2BV7FK0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50071112
PNG
(CHEMBL56835 | N-[4-(4-Acetylamino-4-phenyl-piperid...)
Show SMILES CN(CC(CCN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)
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273n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Eur J Pharmacol 450: 191-202 (2002)


Article DOI: 10.1016/s0014-2999(02)02124-6
BindingDB Entry DOI: 10.7270/Q2862F1R
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50007463
PNG
(CHEMBL124466 | N-[3-(8-Chloro-5,6-dihydro-benzo[5,...)
Show SMILES CN(CC\C=C1/c2ccc(Cl)cc2CCc2cccnc12)C(C)=O
Show InChI InChI=1S/C20H21ClN2O/c1-14(24)23(2)12-4-6-19-18-10-9-17(21)13-16(18)8-7-15-5-3-11-22-20(15)19/h3,5-6,9-11,13H,4,7-8,12H2,1-2H3/b19-6+
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290n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor in rat brain membranes was evaluated using [3H]-pyrilamine as radioligand


J Med Chem 34: 457-61 (1991)


BindingDB Entry DOI: 10.7270/Q2BV7FK0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50051290
PNG
(CHEMBL299377 | N-(1-{3-[1-Benzoyl-3-(3,4-dichloro-...)
Show SMILES CN(C(C)=O)C1(CCN(CCCC2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3
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291n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Eur J Pharmacol 450: 191-202 (2002)


Article DOI: 10.1016/s0014-2999(02)02124-6
BindingDB Entry DOI: 10.7270/Q2862F1R
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50007473
PNG
(1-[4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,...)
Show SMILES [#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C21H21ClN2O/c1-14(25)24-11-8-15(9-12-24)20-19-7-6-18(22)13-17(19)5-4-16-3-2-10-23-21(16)20/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3
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320n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor in rat brain membranes was evaluated using [3H]-pyrilamine as radioligand


J Med Chem 34: 457-61 (1991)


BindingDB Entry DOI: 10.7270/Q2BV7FK0
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM22876
PNG
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3
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350n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor in rat brain membranes was evaluated using [3H]-pyrilamine as radioligand


J Med Chem 34: 457-61 (1991)


BindingDB Entry DOI: 10.7270/Q2BV7FK0
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50007462
PNG
(1-[4-(8-Fluoro-5,6-dihydro-benzo[5,6]cyclohepta[1,...)
Show SMILES [#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(F)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C21H21FN2O/c1-14(25)24-11-8-15(9-12-24)20-19-7-6-18(22)13-17(19)5-4-16-3-2-10-23-21(16)20/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3
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720n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor in rat brain membranes was evaluated using [3H]-pyrilamine as radioligand


J Med Chem 34: 457-61 (1991)


BindingDB Entry DOI: 10.7270/Q2BV7FK0
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50034709
PNG
((1S,2S)-2-(1H-Imidazol-4-yl)-cyclopentylamine | CH...)
Show SMILES N[C@H]1CCC[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C8H13N3/c9-7-3-1-2-6(7)8-4-10-5-11-8/h4-7H,1-3,9H2,(H,10,11)/t6-,7-/m0/s1
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740n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding afinity against Histamine H3 receptor


J Med Chem 38: 1593-9 (1995)


BindingDB Entry DOI: 10.7270/Q2BK1BC1
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50007474
PNG
(CHEMBL141432 | N-[3-(8-Chloro-5,6-dihydro-benzo[5,...)
Show SMILES CN(CC\C=C1\c2ccc(Cl)cc2CCc2cccnc12)C(C)=O
Show InChI InChI=1S/C20H21ClN2O/c1-14(24)23(2)12-4-6-19-18-10-9-17(21)13-16(18)8-7-15-5-3-11-22-20(15)19/h3,5-6,9-11,13H,4,7-8,12H2,1-2H3/b19-6-
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850n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor in rat brain membranes was evaluated using [3H]-pyrilamine as radioligand


J Med Chem 34: 457-61 (1991)


BindingDB Entry DOI: 10.7270/Q2BV7FK0
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50007472
PNG
(1-[4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,...)
Show SMILES CC(=O)C1CCC(CC1)=C1c2ccc(Cl)cc2CCc2cccnc12 |(9.33,-15.2,;8.01,-14.43,;6.66,-15.18,;8.01,-12.89,;9.36,-12.16,;9.4,-10.62,;8.08,-9.84,;6.75,-10.57,;6.72,-12.09,;8.11,-8.3,;9.61,-7.63,;10.74,-8.72,;12.26,-8.29,;12.61,-6.76,;14.11,-6.34,;11.48,-5.67,;9.99,-6.12,;9.09,-5.01,;7.55,-5.01,;6.47,-6.11,;5.02,-5.62,;3.89,-6.62,;4.18,-8.13,;5.62,-8.62,;6.78,-7.62,)|
Show InChI InChI=1S/C22H22ClNO/c1-14(25)15-4-6-16(7-5-15)21-20-11-10-19(23)13-18(20)9-8-17-3-2-12-24-22(17)21/h2-3,10-13,15H,4-9H2,1H3/b21-16-
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1.20E+3n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor in rat brain membranes was evaluated using [3H]-pyrilamine as radioligand


J Med Chem 34: 457-61 (1991)


BindingDB Entry DOI: 10.7270/Q2BV7FK0
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50071112
PNG
(CHEMBL56835 | N-[4-(4-Acetylamino-4-phenyl-piperid...)
Show SMILES CN(CC(CCN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)
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1.28E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Eur J Pharmacol 450: 191-202 (2002)


Article DOI: 10.1016/s0014-2999(02)02124-6
BindingDB Entry DOI: 10.7270/Q2862F1R
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50007460
PNG
(1-[4-(9-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,...)
Show SMILES [#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cc(Cl)ccc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C21H21ClN2O/c1-14(25)24-11-8-16(9-12-24)20-19-13-18(22)7-6-15(19)4-5-17-3-2-10-23-21(17)20/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3
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1.50E+3n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor in rat brain membranes was evaluated using [3H]-pyrilamine as radioligand


J Med Chem 34: 457-61 (1991)


BindingDB Entry DOI: 10.7270/Q2BV7FK0
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50007456
PNG
(1-[4-(8-Methoxy-5,6-dihydro-benzo[5,6]cyclohepta[1...)
Show SMILES [#6]-[#8]-c1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](-[#6])=O)c1
Show InChI InChI=1S/C22H24N2O2/c1-15(25)24-12-9-16(10-13-24)21-20-8-7-19(26-2)14-18(20)6-5-17-4-3-11-23-22(17)21/h3-4,7-8,11,14H,5-6,9-10,12-13H2,1-2H3
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1.60E+3n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor in rat brain membranes was evaluated using [3H]-pyrilamine as radioligand


J Med Chem 34: 457-61 (1991)


BindingDB Entry DOI: 10.7270/Q2BV7FK0
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50069824
PNG
((2R,3S)-3-(1H-Imidazol-4-yl)-2-methyl-piperidine |...)
Show SMILES C[C@H]1NCCC[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C9H15N3/c1-7-8(3-2-4-11-7)9-5-10-6-12-9/h5-8,11H,2-4H2,1H3,(H,10,12)/t7-,8+/m1/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-N-alpha-methylhistamine binding to guinea pig brain Histamine H3 receptor


Bioorg Med Chem Lett 8: 243-8 (1999)


BindingDB Entry DOI: 10.7270/Q2ST7P0Z
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50069821
PNG
(4-((2R,3S)-2-Benzyl-pyrrolidin-3-yl)-1H-imidazole ...)
Show SMILES C([C@H]1NCC[C@@H]1c1cnc[nH]1)c1ccccc1
Show InChI InChI=1S/C14H17N3/c1-2-4-11(5-3-1)8-13-12(6-7-16-13)14-9-15-10-17-14/h1-5,9-10,12-13,16H,6-8H2,(H,15,17)/t12-,13+/m0/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-N-alpha-methylhistamine binding to guinea pig brain Histamine H3 receptor


Bioorg Med Chem Lett 8: 243-8 (1999)


BindingDB Entry DOI: 10.7270/Q2ST7P0Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50007467
PNG
(1-[4-(5,6-Dihydro-benzo[5,6]cyclohepta[1,2-b]pyrid...)
Show SMILES [#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C21H22N2O/c1-15(24)23-13-10-17(11-14-23)20-19-7-3-2-5-16(19)8-9-18-6-4-12-22-21(18)20/h2-7,12H,8-11,13-14H2,1H3
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2.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor in rat brain membranes was evaluated using [3H]-pyrilamine as radioligand


J Med Chem 34: 457-61 (1991)


BindingDB Entry DOI: 10.7270/Q2BV7FK0
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50034710
PNG
((1R,2S)-2-(1H-Imidazol-4-yl)-1-methyl-cyclohexylam...)
Show SMILES C[C@@]1(N)CCCC[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C10H17N3/c1-10(11)5-3-2-4-8(10)9-6-12-7-13-9/h6-8H,2-5,11H2,1H3,(H,12,13)/t8-,10-/m1/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding afinity against Histamine H3 receptor


J Med Chem 38: 1593-9 (1995)


BindingDB Entry DOI: 10.7270/Q2BK1BC1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50034713
PNG
((1S,2S)-2-(1H-Imidazol-4-yl)-1-methyl-cyclohexylam...)
Show SMILES C[C@]1(N)CCCC[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C10H17N3/c1-10(11)5-3-2-4-8(10)9-6-12-7-13-9/h6-8H,2-5,11H2,1H3,(H,12,13)/t8-,10+/m1/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding afinity against Histamine H3 receptor


J Med Chem 38: 1593-9 (1995)


BindingDB Entry DOI: 10.7270/Q2BK1BC1
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50007458
PNG
(1-[4-(9-Fluoro-5,6-dihydro-benzo[5,6]cyclohepta[1,...)
Show SMILES [#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cc(F)ccc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C21H21FN2O/c1-14(25)24-11-8-16(9-12-24)20-19-13-18(22)7-6-15(19)4-5-17-3-2-10-23-21(17)20/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3
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2.90E+3n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor in rat brain membranes was evaluated using [3H]-pyrilamine as radioligand


J Med Chem 34: 457-61 (1991)


BindingDB Entry DOI: 10.7270/Q2BV7FK0
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50007459
PNG
(1-[4-(8,9-Dichloro-5,6-dihydro-benzo[5,6]cyclohept...)
Show SMILES [#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cc(Cl)c(Cl)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C21H20Cl2N2O/c1-13(26)25-9-6-14(7-10-25)20-17-12-19(23)18(22)11-16(17)5-4-15-3-2-8-24-21(15)20/h2-3,8,11-12H,4-7,9-10H2,1H3
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3.10E+3n/an/an/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor in rat brain membranes was evaluated using [3H]-pyrilamine as radioligand


J Med Chem 34: 457-61 (1991)


BindingDB Entry DOI: 10.7270/Q2BV7FK0
More data for this
Ligand-Target Pair
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