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Compile Data Set for Download or QSAR

Found 715 hits with Last Name = 'bryant' and Initial = 'm'   
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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50036257
PNG
(((S)-1-{(1S,2R)-3-[Benzenesulfonyl-(3-methyl-butyl...)
Show SMILES CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccn1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C32H41N5O7S/c1-23(2)16-18-37(45(42,43)26-14-7-4-8-15-26)21-29(38)27(19-24-11-5-3-6-12-24)35-31(40)28(20-30(33)39)36-32(41)44-22-25-13-9-10-17-34-25/h3-15,17,23,27-29,38H,16,18-22H2,1-2H3,(H2,33,39)(H,35,40)(H,36,41)/t27-,28-,29+/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Binding affinity of the compound for HIV-1 protease was determined


J Med Chem 38: 581-4 (1995)


BindingDB Entry DOI: 10.7270/Q2SF2V61
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50322229
PNG
(4-(4-Iodophenyl)-1-((4-methoxy-1H-indol-3-yl)methy...)
Show SMILES COc1cccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(I)cc3)c12
Show InChI InChI=1S/C21H23IN2O2/c1-26-19-4-2-3-18-20(19)15(13-23-18)14-24-11-9-21(25,10-12-24)16-5-7-17(22)8-6-16/h2-8,13,23,25H,9-12,14H2,1H3
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0.900n/an/an/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis


J Med Chem 57: 3450-63 (2014)


Article DOI: 10.1021/jm500126s
BindingDB Entry DOI: 10.7270/Q2MW2JN2
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177543
PNG
(1-(3-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(COc1cccc(CN2CCCCC2)c1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C24H36N4O/c1-2-10-28(11-3-1)19-22-6-4-7-24(17-22)29-15-5-12-27-13-8-21(9-14-27)16-23-18-25-20-26-23/h4,6-7,17-18,20-21H,1-3,5,8-16,19H2,(H,25,26)
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1n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50036261
PNG
((S)-N*1*-{(1S,2R)-3-[Benzenesulfonyl-(3-methyl-but...)
Show SMILES CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C35H41N5O6S/c1-24(2)19-20-40(47(45,46)27-14-7-4-8-15-27)23-32(41)30(21-25-11-5-3-6-12-25)38-35(44)31(22-33(36)42)39-34(43)29-18-17-26-13-9-10-16-28(26)37-29/h3-18,24,30-32,41H,19-23H2,1-2H3,(H2,36,42)(H,38,44)(H,39,43)/t30-,31-,32+/m0/s1
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1n/an/an/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Binding affinity of the compound for HIV-1 protease was determined in vitro


J Med Chem 38: 581-4 (1995)


BindingDB Entry DOI: 10.7270/Q2SF2V61
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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1.40n/an/an/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis


J Med Chem 57: 3450-63 (2014)


Article DOI: 10.1021/jm500126s
BindingDB Entry DOI: 10.7270/Q2MW2JN2
More data for this
Ligand-Target Pair
HRH3


(RAT)
BDBM86188
PNG
(CHEMBL366977 | SCH 79687)
Show SMILES Clc1cc(Cl)cc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)c1
Show InChI InChI=1S/C18H16Cl2N4O/c19-14-6-15(20)8-16(7-14)24-18(25)22-9-13-3-1-12(2-4-13)5-17-10-21-11-23-17/h1-4,6-8,10-11H,5,9H2,(H,21,23)(H2,22,24,25)
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1.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 1037-44 (2003)


Article DOI: 10.1124/jpet.103.049254
BindingDB Entry DOI: 10.7270/Q24B2ZVV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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2n/an/an/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from human D3 receptor expressed in HEK293 cell membrane after 90 mins by scintillation counting analysis


J Med Chem 57: 3450-63 (2014)


Article DOI: 10.1021/jm500126s
BindingDB Entry DOI: 10.7270/Q2MW2JN2
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50173419
PNG
((3R,3aS,4S,4aR,8aS,9aR)-3-Methyl-4-{(E)-2-[5-(3-tr...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12
Show InChI InChI=1S/C27H28F3NO2/c1-16-25-23(22-8-3-2-5-18(22)14-24(25)26(32)33-16)12-11-21-10-9-19(15-31-21)17-6-4-7-20(13-17)27(28,29)30/h4,6-7,9-13,15-16,18,22-25H,2-3,5,8,14H2,1H3/b12-11+/t16-,18+,22-,23+,24-,25+/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant aganist Protease-activated receptor 1


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177536
PNG
(1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(COc1ccc(CN2CCCCC2)cc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C24H36N4O/c1-2-11-28(12-3-1)19-22-5-7-24(8-6-22)29-16-4-13-27-14-9-21(10-15-27)17-23-18-25-20-26-23/h5-8,18,20-21H,1-4,9-17,19H2,(H,25,26)
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3n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177531
PNG
(1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(COc1ccc(CCN2CCCCC2)cc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C25H38N4O/c1-2-12-28(13-3-1)15-9-22-5-7-25(8-6-22)30-18-4-14-29-16-10-23(11-17-29)19-24-20-26-21-27-24/h5-8,20-21,23H,1-4,9-19H2,(H,26,27)
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3n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177530
PNG
(4-((1H-imidazol-4-yl)methyl)-1-(3-(3-(cyclohexylox...)
Show SMILES C(COc1cccc(OC2CCCCC2)c1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C24H35N3O2/c1-2-6-22(7-3-1)29-24-9-4-8-23(17-24)28-15-5-12-27-13-10-20(11-14-27)16-21-18-25-19-26-21/h4,8-9,17-20,22H,1-3,5-7,10-16H2,(H,25,26)
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3n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50112009
PNG
(1-(2,6-Dichloro-pyridin-4-yl)-3-[4-(1H-imidazol-4-...)
Show SMILES Clc1cc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)cc(Cl)n1
Show InChI InChI=1S/C17H15Cl2N5O/c18-15-6-13(7-16(19)24-15)23-17(25)21-8-12-3-1-11(2-4-12)5-14-9-20-10-22-14/h1-4,6-7,9-10H,5,8H2,(H,20,22)(H2,21,23,24,25)
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3n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane


Bioorg Med Chem Lett 12: 937-41 (2002)


BindingDB Entry DOI: 10.7270/Q2W37VN7
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177538
PNG
(1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(COc1ccc(CN2CCC(CC2)N2CCCCC2)cc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C29H45N5O/c1-2-14-34(15-3-1)28-11-18-33(19-12-28)23-26-5-7-29(8-6-26)35-20-4-13-32-16-9-25(10-17-32)21-27-22-30-24-31-27/h5-8,22,24-25,28H,1-4,9-21,23H2,(H,30,31)
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3n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50036251
PNG
(CHEMBL141265 | [(1S,2R)-3-(Benzenesulfonyl-isobuty...)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H34N2O5S/c1-22(2)19-30(36(33,34)25-16-10-5-11-17-25)20-27(31)26(18-23-12-6-3-7-13-23)29-28(32)35-21-24-14-8-4-9-15-24/h3-17,22,26-27,31H,18-21H2,1-2H3,(H,29,32)/t26-,27+/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Binding affinity of the compound for HIV-1 protease was determined in vitro


J Med Chem 38: 581-4 (1995)


BindingDB Entry DOI: 10.7270/Q2SF2V61
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177551
PNG
(4-((1H-imidazol-4-yl)methyl)-N-(thiazol-2-yl)piper...)
Show SMILES O=C(Nc1nccs1)N1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C13H17N5OS/c19-13(17-12-15-3-6-20-12)18-4-1-10(2-5-18)7-11-8-14-9-16-11/h3,6,8-10H,1-2,4-5,7H2,(H,14,16)(H,15,17,19)
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4n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177542
PNG
(1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES FC1(F)CCN(Cc2ccc(OCCCN3CCC(Cc4cnc[nH]4)CC3)cc2)CC1
Show InChI InChI=1S/C24H34F2N4O/c25-24(26)8-13-30(14-9-24)18-21-2-4-23(5-3-21)31-15-1-10-29-11-6-20(7-12-29)16-22-17-27-19-28-22/h2-5,17,19-20H,1,6-16,18H2,(H,27,28)
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4n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177535
PNG
(CHEMBL379445 | N-(4-(3-(4-((1H-imidazol-4-yl)methy...)
Show SMILES CCN(CC)Cc1ccc(OCCCN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C23H36N4O/c1-3-26(4-2)18-21-6-8-23(9-7-21)28-15-5-12-27-13-10-20(11-14-27)16-22-17-24-19-25-22/h6-9,17,19-20H,3-5,10-16,18H2,1-2H3,(H,24,25)
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4n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50175839
PNG
(4-((1H-imidazol-4-yl)methyl)-1-(3-phenoxypropyl)pi...)
Show SMILES C(COc1ccccc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C18H25N3O/c1-2-5-18(6-3-1)22-12-4-9-21-10-7-16(8-11-21)13-17-14-19-15-20-17/h1-3,5-6,14-16H,4,7-13H2,(H,19,20)
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4n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM86188
PNG
(CHEMBL366977 | SCH 79687)
Show SMILES Clc1cc(Cl)cc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)c1
Show InChI InChI=1S/C18H16Cl2N4O/c19-14-6-15(20)8-16(7-14)24-18(25)22-9-13-3-1-12(2-4-13)5-17-10-21-11-23-17/h1-4,6-8,10-11H,5,9H2,(H,21,23)(H2,22,24,25)
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4n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane


Bioorg Med Chem Lett 12: 937-41 (2002)


BindingDB Entry DOI: 10.7270/Q2W37VN7
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50036252
PNG
(CHEMBL347671 | {(1S,2R)-1-Benzyl-3-[(4-chloro-benz...)
Show SMILES CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H35ClN2O5S/c1-22(2)17-18-32(38(35,36)26-15-13-25(30)14-16-26)20-28(33)27(19-23-9-5-3-6-10-23)31-29(34)37-21-24-11-7-4-8-12-24/h3-16,22,27-28,33H,17-21H2,1-2H3,(H,31,34)/t27-,28+/m0/s1
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4.10n/an/an/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Binding affinity of the compound for HIV-1 protease was determined.


J Med Chem 38: 581-4 (1995)


BindingDB Entry DOI: 10.7270/Q2SF2V61
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50222015
PNG
((1R,3aR,4aS,8aS,9S,9aS)-decahydro-1-methyl-3-oxo-9...)
Show SMILES CCOC(=O)N1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(F)c2)C1
Show InChI InChI=1S/C28H31FN2O4/c1-3-34-28(33)31-12-11-23-20(16-31)14-25-26(17(2)35-27(25)32)24(23)10-9-22-8-7-19(15-30-22)18-5-4-6-21(29)13-18/h4-10,13,15,17,20,23-26H,3,11-12,14,16H2,1-2H3/b10-9+/t17-,20-,23-,24+,25-,26+/m1/s1
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4.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


J Med Chem 50: 5147-60 (2007)


Article DOI: 10.1021/jm070704k
BindingDB Entry DOI: 10.7270/Q2SN08PK
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177544
PNG
(1-(4-(2-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(CN1CCC(Cc2cnc[nH]2)CC1)Oc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C23H34N4O/c1-2-10-27(11-3-1)18-21-4-6-23(7-5-21)28-15-14-26-12-8-20(9-13-26)16-22-17-24-19-25-22/h4-7,17,19-20H,1-3,8-16,18H2,(H,24,25)
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5n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50112025
PNG
((3,5-Dichloro-phenyl)-carbamic acid 4-(1H-imidazol...)
Show SMILES Clc1cc(Cl)cc(NC(=O)OCc2ccc(Cc3cnc[nH]3)cc2)c1
Show InChI InChI=1S/C18H15Cl2N3O2/c19-14-6-15(20)8-16(7-14)23-18(24)25-10-13-3-1-12(2-4-13)5-17-9-21-11-22-17/h1-4,6-9,11H,5,10H2,(H,21,22)(H,23,24)
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5n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane


Bioorg Med Chem Lett 12: 937-41 (2002)


BindingDB Entry DOI: 10.7270/Q2W37VN7
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50112024
PNG
(1-(3-Cyano-phenyl)-3-[4-(1H-imidazol-4-ylmethyl)-b...)
Show SMILES O=C(NCc1ccc(Cc2cnc[nH]2)cc1)Nc1cccc(c1)C#N
Show InChI InChI=1S/C19H17N5O/c20-10-16-2-1-3-17(9-16)24-19(25)22-11-15-6-4-14(5-7-15)8-18-12-21-13-23-18/h1-7,9,12-13H,8,11H2,(H,21,23)(H2,22,24,25)
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5n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane


Bioorg Med Chem Lett 12: 937-41 (2002)


BindingDB Entry DOI: 10.7270/Q2W37VN7
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50112012
PNG
(1-(3-Chloro-phenyl)-3-[4-(1H-imidazol-4-ylmethyl)-...)
Show SMILES Clc1cccc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)c1
Show InChI InChI=1S/C18H17ClN4O/c19-15-2-1-3-16(9-15)23-18(24)21-10-14-6-4-13(5-7-14)8-17-11-20-12-22-17/h1-7,9,11-12H,8,10H2,(H,20,22)(H2,21,23,24)
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6n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane


Bioorg Med Chem Lett 12: 937-41 (2002)


BindingDB Entry DOI: 10.7270/Q2W37VN7
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177532
PNG
(4-((1H-imidazol-4-yl)methyl)-1-(3-(4-(cyclohexylox...)
Show SMILES C(COc1ccc(OC2CCCCC2)cc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C24H35N3O2/c1-2-5-23(6-3-1)29-24-9-7-22(8-10-24)28-16-4-13-27-14-11-20(12-15-27)17-21-18-25-19-26-21/h7-10,18-20,23H,1-6,11-17H2,(H,25,26)
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6n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50036262
PNG
(CHEMBL348282 | [(1S,2R)-3-(Benzenesulfonyl-cyclohe...)
Show SMILES O[C@H](CN(CC1CCCCC1)S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H38N2O5S/c34-30(23-33(22-26-15-7-2-8-16-26)39(36,37)28-19-11-4-12-20-28)29(21-25-13-5-1-6-14-25)32-31(35)38-24-27-17-9-3-10-18-27/h1,3-6,9-14,17-20,26,29-30,34H,2,7-8,15-16,21-24H2,(H,32,35)/t29-,30+/m0/s1
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6.70n/an/an/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Binding affinity of the compound for HIV-1 protease was determined


J Med Chem 38: 581-4 (1995)


BindingDB Entry DOI: 10.7270/Q2SF2V61
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50112011
PNG
((3-Chloro-phenyl)-carbamic acid 4-(1H-imidazol-4-y...)
Show SMILES Clc1cccc(NC(=O)OCc2ccc(Cc3cnc[nH]3)cc2)c1
Show InChI InChI=1S/C18H16ClN3O2/c19-15-2-1-3-16(9-15)22-18(23)24-11-14-6-4-13(5-7-14)8-17-10-20-12-21-17/h1-7,9-10,12H,8,11H2,(H,20,21)(H,22,23)
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7n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane


Bioorg Med Chem Lett 12: 937-41 (2002)


BindingDB Entry DOI: 10.7270/Q2W37VN7
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50112021
PNG
(1-(3,4-Dichloro-phenyl)-3-[4-(1H-imidazol-4-ylmeth...)
Show SMILES Clc1ccc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)cc1Cl
Show InChI InChI=1S/C18H16Cl2N4O/c19-16-6-5-14(8-17(16)20)24-18(25)22-9-13-3-1-12(2-4-13)7-15-10-21-11-23-15/h1-6,8,10-11H,7,9H2,(H,21,23)(H2,22,24,25)
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7n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane


Bioorg Med Chem Lett 12: 937-41 (2002)


BindingDB Entry DOI: 10.7270/Q2W37VN7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50050467
PNG
(1-((1H-indol-3-yl)methyl)-4-(4-chlorophenyl)piperi...)
Show SMILES OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2
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7.5n/an/an/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis


J Med Chem 57: 3450-63 (2014)


Article DOI: 10.1021/jm500126s
BindingDB Entry DOI: 10.7270/Q2MW2JN2
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177546
PNG
(4-((1H-imidazol-4-yl)methyl)-N-(pyrimidin-2-yl)pip...)
Show SMILES O=C(Nc1ncccn1)N1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C14H18N6O/c21-14(19-13-16-4-1-5-17-13)20-6-2-11(3-7-20)8-12-9-15-10-18-12/h1,4-5,9-11H,2-3,6-8H2,(H,15,18)(H,16,17,19,21)
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8n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50112020
PNG
(1-(3,5-Dimethyl-phenyl)-3-[4-(1H-imidazol-4-ylmeth...)
Show SMILES Cc1cc(C)cc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)c1
Show InChI InChI=1S/C20H22N4O/c1-14-7-15(2)9-18(8-14)24-20(25)22-11-17-5-3-16(4-6-17)10-19-12-21-13-23-19/h3-9,12-13H,10-11H2,1-2H3,(H,21,23)(H2,22,24,25)
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9n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane


Bioorg Med Chem Lett 12: 937-41 (2002)


BindingDB Entry DOI: 10.7270/Q2W37VN7
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177556
PNG
(5-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(COc1ccc(cc1)-c1cncnc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C22H27N5O/c1(8-27-9-6-18(7-10-27)12-21-15-25-17-26-21)11-28-22-4-2-19(3-5-22)20-13-23-16-24-14-20/h2-5,13-18H,1,6-12H2,(H,25,26)
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9n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177541
PNG
(5-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)p...)
Show SMILES C(COc1ccc(CN2CCCCC2)nc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C23H35N5O/c1-2-9-28(10-3-1)18-21-5-6-23(17-25-21)29-14-4-11-27-12-7-20(8-13-27)15-22-16-24-19-26-22/h5-6,16-17,19-20H,1-4,7-15,18H2,(H,24,26)
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10n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50036253
PNG
(CHEMBL347431 | {(1S,2R)-3-[Benzenesulfonyl-(3-meth...)
Show SMILES CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H36N2O5S/c1-23(2)18-19-31(37(34,35)26-16-10-5-11-17-26)21-28(32)27(20-24-12-6-3-7-13-24)30-29(33)36-22-25-14-8-4-9-15-25/h3-17,23,27-28,32H,18-22H2,1-2H3,(H,30,33)/t27-,28+/m0/s1
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10n/an/an/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Binding affinity of the compound for HIV-1 protease was determined in vitro.


J Med Chem 38: 581-4 (1995)


BindingDB Entry DOI: 10.7270/Q2SF2V61
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50202073
PNG
((3R,3aS,4S,4aR,7R,8aR,9aR)-decahydro-7-hydroxy-3-m...)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](O)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(c3)C(F)(F)F)[C@H]12 |r|
Show InChI InChI=1S/C27H28F3NO3/c1-15-25-23(22-10-8-21(32)12-18(22)13-24(25)26(33)34-15)9-7-20-6-5-17(14-31-20)16-3-2-4-19(11-16)27(28,29)30/h2-7,9,11,14-15,18,21-25,32H,8,10,12-13H2,1H3/b9-7+/t15-,18+,21-,22-,23+,24-,25+/m1/s1
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11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membrane


J Med Chem 50: 129-38 (2007)


Article DOI: 10.1021/jm061043e
BindingDB Entry DOI: 10.7270/Q22V2FS9
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177548
PNG
(3-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(COc1ccc(cc1)-c1cccnc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C23H28N4O/c1-3-21(16-24-10-1)20-4-6-23(7-5-20)28-14-2-11-27-12-8-19(9-13-27)15-22-17-25-18-26-22/h1,3-7,10,16-19H,2,8-9,11-15H2,(H,25,26)
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12n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177528
PNG
(1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(COc1ccc(cc1)N1CCNCC1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C22H33N5O/c1(10-26-11-6-19(7-12-26)16-20-17-24-18-25-20)15-28-22-4-2-21(3-5-22)27-13-8-23-9-14-27/h2-5,17-19,23H,1,6-16H2,(H,24,25)
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12n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177550
PNG
(5-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES Nc1ncc(cn1)-c1ccc(OCCCN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C22H28N6O/c23-22-25-13-19(14-26-22)18-2-4-21(5-3-18)29-11-1-8-28-9-6-17(7-10-28)12-20-15-24-16-27-20/h2-5,13-17H,1,6-12H2,(H,24,27)(H2,23,25,26)
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12n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50173417
PNG
((3R,3aS,4S,4aR,8aS,9aR)-4-(2-(6-ethylpyridin-2-yl)...)
Show SMILES CCc1cccc(\C=C\[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@@H]23)n1
Show InChI InChI=1S/C22H29NO2/c1-3-16-8-6-9-17(23-16)11-12-19-18-10-5-4-7-15(18)13-20-21(19)14(2)25-22(20)24/h6,8-9,11-12,14-15,18-21H,3-5,7,10,13H2,1-2H3/b12-11+/t14-,15+,18-,19+,20-,21+/m1/s1
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KEGG

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12n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory constant aganist Protease-activated receptor 1


J Med Chem 48: 5884-7 (2005)


Article DOI: 10.1021/jm0502236
BindingDB Entry DOI: 10.7270/Q2V69J5Q
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50036259
PNG
((S)-N*1*-{(1S,2R)-1-Benzyl-2-hydroxy-3-[methanesul...)
Show SMILES CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)S(C)(=O)=O
Show InChI InChI=1S/C30H39N5O6S/c1-20(2)15-16-35(42(3,40)41)19-27(36)25(17-21-9-5-4-6-10-21)33-30(39)26(18-28(31)37)34-29(38)24-14-13-22-11-7-8-12-23(22)32-24/h4-14,20,25-27,36H,15-19H2,1-3H3,(H2,31,37)(H,33,39)(H,34,38)/t25-,26-,27+/m0/s1
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13n/an/an/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Binding affinity of the compound for HIV-1 protease was determined in vitro


J Med Chem 38: 581-4 (1995)


BindingDB Entry DOI: 10.7270/Q2SF2V61
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177529
PNG
(3-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES CN(C)CCCOc1ccc(CCCN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C23H36N4O/c1-26(2)12-4-16-28-23-8-6-20(7-9-23)5-3-13-27-14-10-21(11-15-27)17-22-18-24-19-25-22/h6-9,18-19,21H,3-5,10-17H2,1-2H3,(H,24,25)
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13n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177555
PNG
(1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(COc1ccc(cc1)N1CCCCC1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C23H34N4O/c1-2-12-27(13-3-1)22-5-7-23(8-6-22)28-16-4-11-26-14-9-20(10-15-26)17-21-18-24-19-25-21/h5-8,18-20H,1-4,9-17H2,(H,24,25)
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15n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177527
PNG
(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)p...)
Show SMILES C(COc1ccc(NC2CCCCC2)cc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C24H36N4O/c1-2-5-21(6-3-1)27-22-7-9-24(10-8-22)29-16-4-13-28-14-11-20(12-15-28)17-23-18-25-19-26-23/h7-10,18-21,27H,1-6,11-17H2,(H,25,26)
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15n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177534
PNG
(1-(4-(4-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(CCN1CCC(Cc2cnc[nH]2)CC1)COc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C25H38N4O/c1-2-13-29(14-3-1)20-23-6-8-25(9-7-23)30-17-5-4-12-28-15-10-22(11-16-28)18-24-19-26-21-27-24/h6-9,19,21-22H,1-5,10-18,20H2,(H,26,27)
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16n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177549
PNG
(1-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES NC(=O)C1CCN(Cc2ccc(OCCCN3CCC(Cc4cnc[nH]4)CC3)cc2)CC1
Show InChI InChI=1S/C25H37N5O2/c26-25(31)22-8-13-30(14-9-22)18-21-2-4-24(5-3-21)32-15-1-10-29-11-6-20(7-12-29)16-23-17-27-19-28-23/h2-5,17,19-20,22H,1,6-16,18H2,(H2,26,31)(H,27,28)
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16n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50071492
PNG
(CHEMBL312341 | N-(4-Chloro-benzyl)-4-(1H-imidazol-...)
Show SMILES NC(=NCc1ccc(Cl)cc1)c1ccc(Cc2cnc[nH]2)cc1 |w:2.2|
Show InChI InChI=1S/C18H17ClN4/c19-16-7-3-14(4-8-16)10-22-18(20)15-5-1-13(2-6-15)9-17-11-21-12-23-17/h1-8,11-12H,9-10H2,(H2,20,22)(H,21,23)
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16n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane


Bioorg Med Chem Lett 12: 937-41 (2002)


BindingDB Entry DOI: 10.7270/Q2W37VN7
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50112028
PNG
(1-[4-(1H-Imidazol-4-ylmethyl)-benzyl]-3-(3-trifluo...)
Show SMILES FC(F)(F)c1cccc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)c1
Show InChI InChI=1S/C19H17F3N4O/c20-19(21,22)15-2-1-3-16(9-15)26-18(27)24-10-14-6-4-13(5-7-14)8-17-11-23-12-25-17/h1-7,9,11-12H,8,10H2,(H,23,25)(H2,24,26,27)
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16n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane


Bioorg Med Chem Lett 12: 937-41 (2002)


BindingDB Entry DOI: 10.7270/Q2W37VN7
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177552
PNG
(3-(4-((4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)...)
Show SMILES CN(C)CCCOc1ccc(CN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C21H32N4O/c1-24(2)10-3-13-26-21-6-4-19(5-7-21)16-25-11-8-18(9-12-25)14-20-15-22-17-23-20/h4-7,15,17-18H,3,8-14,16H2,1-2H3,(H,22,23)
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17n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50112010
PNG
(1-[4-(1H-Imidazol-4-ylmethyl)-benzyl]-3-(3-methoxy...)
Show SMILES COc1cccc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)c1
Show InChI InChI=1S/C19H20N4O2/c1-25-18-4-2-3-16(10-18)23-19(24)21-11-15-7-5-14(6-8-15)9-17-12-20-13-22-17/h2-8,10,12-13H,9,11H2,1H3,(H,20,22)(H2,21,23,24)
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18n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane


Bioorg Med Chem Lett 12: 937-41 (2002)


BindingDB Entry DOI: 10.7270/Q2W37VN7
More data for this
Ligand-Target Pair
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