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Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'she' and Initial = 'hs'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H3 receptor


(GUINEA PIG)
BDBM50175843
PNG
(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(...)
Show SMILES Clc1cccc(NC(=O)CCN2CCC(Cc3cnc[nH]3)CC2)c1
Show InChI InChI=1S/C18H23ClN4O/c19-15-2-1-3-16(11-15)22-18(24)6-9-23-7-4-14(5-8-23)10-17-12-20-13-21-17/h1-3,11-14H,4-10H2,(H,20,21)(H,22,24)
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0.200n/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 histamine H3 receptor in guinea pig brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50175828
PNG
(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(...)
Show SMILES Fc1cccc(NC(=O)CCN2CCC(Cc3cnc[nH]3)CC2)c1
Show InChI InChI=1S/C18H23FN4O/c19-15-2-1-3-16(11-15)22-18(24)6-9-23-7-4-14(5-8-23)10-17-12-20-13-21-17/h1-3,11-14H,4-10H2,(H,20,21)(H,22,24)
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0.200n/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 histamine H3 receptor in guinea pig brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50175843
PNG
(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(...)
Show SMILES Clc1cccc(NC(=O)CCN2CCC(Cc3cnc[nH]3)CC2)c1
Show InChI InChI=1S/C18H23ClN4O/c19-15-2-1-3-16(11-15)22-18(24)6-9-23-7-4-14(5-8-23)10-17-12-20-13-21-17/h1-3,11-14H,4-10H2,(H,20,21)(H,22,24)
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0.400n/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 histamine H3 receptor in human brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50175833
PNG
(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(...)
Show SMILES Clc1ccc(NC(=O)CCN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C18H23ClN4O/c19-15-1-3-16(4-2-15)22-18(24)7-10-23-8-5-14(6-9-23)11-17-12-20-13-21-17/h1-4,12-14H,5-11H2,(H,20,21)(H,22,24)
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0.400n/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 histamine H3 receptor in guinea pig brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM22542
PNG
(4-(1H-imidazol-4-ylmethyl)piperidine | 4-(1H-imida...)
Show SMILES C(C1CCNCC1)c1cnc[nH]1
Show InChI InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)
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0.400n/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 histamine H3 receptor in guinea pig brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50084878
PNG
(Butyl-[8-(2,4-dichloro-phenyl)-2,7-dimethyl-pyrazo...)
Show SMILES CCCCN(CC)c1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(6.56,7.35,;6.07,5.89,;4.59,5.55,;4.12,4.1,;2.61,3.75,;1.57,4.9,;2.03,6.37,;2.13,2.3,;.64,1.96,;.17,.5,;-1.34,.16,;1.22,-.62,;2.71,-.3,;3.96,-1.2,;5.2,-.3,;6.65,-.77,;4.72,1.18,;3.18,1.16,;3.96,-2.74,;2.64,-3.51,;2.64,-5.05,;3.96,-5.82,;3.96,-7.36,;5.3,-5.05,;5.3,-3.51,;6.62,-2.73,)|
Show InChI InChI=1S/C19H23Cl2N5/c1-5-7-10-25(6-2)19-23-13(4)22-18-17(12(3)24-26(18)19)15-9-8-14(20)11-16(15)21/h8-9,11H,5-7,10H2,1-4H3
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0.400n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-tyrosine-ovine-CRF from human Corticotropin releasing factor receptor 1


J Med Chem 43: 449-56 (2000)


BindingDB Entry DOI: 10.7270/Q2542P9M
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50084876
PNG
(CHEMBL344223 | [8-(2,4-Dichloro-phenyl)-2,7-dimeth...)
Show SMILES CCCN(CCC)c1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(6.07,5.89,;4.59,5.55,;4.12,4.1,;2.61,3.75,;1.57,4.9,;2.03,6.37,;3.54,6.69,;2.13,2.3,;.64,1.96,;.17,.5,;-1.34,.16,;1.22,-.62,;2.71,-.3,;3.96,-1.2,;5.2,-.3,;6.65,-.77,;4.72,1.18,;3.18,1.16,;3.96,-2.74,;2.64,-3.51,;2.64,-5.05,;3.96,-5.82,;3.96,-7.36,;5.3,-5.05,;5.3,-3.51,;6.62,-2.73,)|
Show InChI InChI=1S/C19H23Cl2N5/c1-5-9-25(10-6-2)19-23-13(4)22-18-17(12(3)24-26(18)19)15-8-7-14(20)11-16(15)21/h7-8,11H,5-6,9-10H2,1-4H3
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0.600n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-tyrosine-ovine-CRF from human Corticotropin releasing factor receptor 1


J Med Chem 43: 449-56 (2000)


BindingDB Entry DOI: 10.7270/Q2542P9M
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50084880
PNG
(CHEMBL140894 | Cyclopropylmethyl-[8-(2,4-dichloro-...)
Show SMILES CCCN(CC1CC1)c1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(6.07,5.89,;4.59,5.55,;4.12,4.1,;2.61,3.75,;1.57,4.9,;.08,4.58,;-1.4,5.04,;-1.08,3.53,;2.13,2.3,;.64,1.96,;.17,.5,;-1.34,.16,;1.22,-.62,;2.71,-.3,;3.96,-1.2,;5.2,-.3,;6.65,-.77,;4.72,1.18,;3.18,1.16,;3.96,-2.74,;2.64,-3.51,;2.64,-5.05,;3.96,-5.82,;3.96,-7.36,;5.3,-5.05,;5.3,-3.51,;6.62,-2.73,)|
Show InChI InChI=1S/C20H23Cl2N5/c1-4-9-26(11-14-5-6-14)20-24-13(3)23-19-18(12(2)25-27(19)20)16-8-7-15(21)10-17(16)22/h7-8,10,14H,4-6,9,11H2,1-3H3
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0.700n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-tyrosine-ovine-CRF from human Corticotropin releasing factor receptor 1


J Med Chem 43: 449-56 (2000)


BindingDB Entry DOI: 10.7270/Q2542P9M
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50084873
PNG
(CHEMBL336678 | [8-(2,4-Dichloro-phenyl)-2,7-dimeth...)
Show SMILES CCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(10.17,.44,;8.83,1.19,;7.5,.42,;6.27,1.35,;4.86,.77,;7.11,-1.07,;6.63,-2.54,;5.13,-2.87,;4.67,-4.34,;3.15,-4.68,;5.71,-5.47,;7.21,-5.15,;8.46,-6.05,;9.7,-5.15,;11.17,-5.61,;9.21,-3.67,;7.67,-3.68,;8.46,-7.59,;7.14,-8.37,;7.14,-9.91,;8.46,-10.68,;8.46,-12.23,;9.81,-9.91,;9.81,-8.37,;11.13,-7.57,)|
Show InChI InChI=1S/C18H21Cl2N5/c1-5-13(6-2)23-18-22-11(4)21-17-16(10(3)24-25(17)18)14-8-7-12(19)9-15(14)20/h7-9,13H,5-6H2,1-4H3,(H,21,22,23)
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1.10n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-tyrosine-ovine-CRF from human Corticotropin releasing factor receptor 1


J Med Chem 43: 449-56 (2000)


BindingDB Entry DOI: 10.7270/Q2542P9M
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50084869
PNG
(CHEMBL337768 | [8-(2,4-Dichloro-phenyl)-2,7-dimeth...)
Show SMILES CCN(CC)c1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(2.03,6.37,;1.57,4.9,;2.61,3.75,;4.12,4.1,;4.59,5.55,;2.13,2.3,;.64,1.96,;.17,.5,;-1.34,.16,;1.22,-.62,;2.71,-.3,;3.96,-1.2,;5.2,-.3,;6.65,-.77,;4.72,1.18,;3.18,1.16,;3.96,-2.74,;2.64,-3.51,;2.64,-5.05,;3.96,-5.82,;3.96,-7.36,;5.3,-5.05,;5.3,-3.51,;6.62,-2.73,)|
Show InChI InChI=1S/C17H19Cl2N5/c1-5-23(6-2)17-21-11(4)20-16-15(10(3)22-24(16)17)13-8-7-12(18)9-14(13)19/h7-9H,5-6H2,1-4H3
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1.20n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-tyrosine-ovine-CRF from human Corticotropin releasing factor receptor 1


J Med Chem 43: 449-56 (2000)


BindingDB Entry DOI: 10.7270/Q2542P9M
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50084877
PNG
(CHEMBL140143 | [8-(2,4-Dichloro-phenyl)-2,7-dimeth...)
Show SMILES CCCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(15.31,1.18,;13.83,.79,;12.75,1.88,;11.26,1.46,;10.18,2.56,;8.69,2.14,;10.88,-.04,;10.39,-1.49,;8.9,-1.84,;8.44,-3.28,;6.93,-3.64,;9.48,-4.41,;10.97,-4.09,;12.22,-4.98,;13.45,-4.09,;14.92,-4.57,;12.97,-2.61,;11.43,-2.64,;12.22,-6.52,;10.91,-7.29,;10.91,-8.83,;12.22,-9.6,;12.22,-11.14,;13.57,-8.83,;13.57,-7.29,;14.89,-6.52,)|
Show InChI InChI=1S/C19H23Cl2N5/c1-5-7-14(6-2)24-19-23-12(4)22-18-17(11(3)25-26(18)19)15-9-8-13(20)10-16(15)21/h8-10,14H,5-7H2,1-4H3,(H,22,23,24)
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1.20n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-tyrosine-ovine-CRF from human Corticotropin releasing factor receptor 1


J Med Chem 43: 449-56 (2000)


BindingDB Entry DOI: 10.7270/Q2542P9M
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50084874
PNG
(Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...)
Show SMILES CCCCN(CC)c1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(12.07,5.86,;11.59,4.39,;10.11,4.06,;9.63,2.6,;8.13,2.27,;7.1,3.4,;7.55,4.88,;7.64,.8,;6.17,.47,;5.69,-.99,;4.18,-1.33,;6.75,-2.12,;8.22,-1.8,;9.47,-2.69,;10.72,-1.8,;12.17,-2.26,;10.24,-.32,;8.7,-.33,;9.47,-4.23,;8.16,-5,;8.16,-6.54,;9.47,-7.31,;9.47,-8.85,;10.82,-6.54,;10.82,-5,;12.14,-4.21,)|
Show InChI InChI=1S/C19H23Cl2N5/c1-5-7-10-25(6-2)19-23-13(4)22-18-17(12(3)24-26(18)19)15-9-8-14(20)11-16(15)21/h8-9,11H,5-7,10H2,1-4H3
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1.60n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-tyrosine-ovine-CRF from human Corticotropin releasing factor receptor 1


J Med Chem 43: 449-56 (2000)


BindingDB Entry DOI: 10.7270/Q2542P9M
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50084881
PNG
(CHEMBL138154 | [8-(2,4-Dichloro-phenyl)-2,7-dimeth...)
Show SMILES CCCC(CCC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(18.94,.92,;17.43,.53,;16.37,1.63,;14.86,1.21,;13.8,2.3,;12.3,1.88,;11.21,2.97,;14.48,-.3,;14,-1.74,;12.52,-2.1,;12.04,-3.54,;10.53,-3.89,;13.1,-4.66,;14.57,-4.34,;15.83,-5.24,;17.08,-4.34,;18.52,-4.82,;16.6,-2.87,;15.06,-2.9,;15.83,-6.78,;14.51,-7.55,;14.51,-9.09,;15.83,-9.86,;15.83,-11.4,;17.17,-9.09,;17.17,-7.55,;18.49,-6.78,)|
Show InChI InChI=1S/C20H25Cl2N5/c1-5-7-15(8-6-2)25-20-24-13(4)23-19-18(12(3)26-27(19)20)16-10-9-14(21)11-17(16)22/h9-11,15H,5-8H2,1-4H3,(H,23,24,25)
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1.60n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-tyrosine-ovine-CRF from human Corticotropin releasing factor receptor 1


J Med Chem 43: 449-56 (2000)


BindingDB Entry DOI: 10.7270/Q2542P9M
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50084870
PNG
(CHEMBL141085 | [8-(2,4-Dichloro-phenyl)-2,7-dimeth...)
Show SMILES CCCCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(17.92,-3.84,;16.84,-2.77,;15.35,-3.15,;14.26,-2.06,;12.77,-2.48,;11.69,-1.38,;10.2,-1.78,;12.39,-3.97,;11.9,-5.44,;10.4,-5.77,;9.94,-7.24,;8.43,-7.57,;10.98,-8.37,;12.48,-8.04,;13.74,-8.94,;14.97,-8.04,;16.44,-8.5,;14.49,-6.56,;12.94,-6.57,;13.74,-10.47,;12.42,-11.26,;12.42,-12.81,;13.74,-13.58,;13.74,-15.12,;15.09,-12.81,;15.09,-11.26,;16.41,-10.47,)|
Show InChI InChI=1S/C20H25Cl2N5/c1-5-7-8-15(6-2)25-20-24-13(4)23-19-18(12(3)26-27(19)20)16-10-9-14(21)11-17(16)22/h9-11,15H,5-8H2,1-4H3,(H,23,24,25)
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1.60n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-tyrosine-ovine-CRF from human Corticotropin releasing factor receptor 1


J Med Chem 43: 449-56 (2000)


BindingDB Entry DOI: 10.7270/Q2542P9M
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50084875
PNG
(8-(2,4-dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl...)
Show SMILES COCC(COC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(-3.04,-6.69,;-3.03,-8.23,;-4.37,-9,;-4.37,-10.54,;-3.03,-11.31,;-1.7,-10.54,;-1.7,-9.01,;-5.7,-11.31,;-5.7,-12.85,;-7.03,-13.63,;-7.03,-15.17,;-8.36,-15.94,;-5.7,-15.93,;-4.37,-15.17,;-2.91,-15.64,;-2,-14.4,;-.46,-14.4,;-2.91,-13.15,;-4.37,-13.63,;-2.18,-17.01,;-3.01,-18.3,;-2.29,-19.67,;-.75,-19.73,;-.03,-21.08,;.06,-18.41,;-.65,-17.05,;.16,-15.75,)|
Show InChI InChI=1S/C18H21Cl2N5O2/c1-10-16(14-6-5-12(19)7-15(14)20)17-21-11(2)22-18(25(17)24-10)23-13(8-26-3)9-27-4/h5-7,13H,8-9H2,1-4H3,(H,21,22,23)
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1.70n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-tyrosine-ovine-CRF from human Corticotropin releasing factor receptor 1


J Med Chem 43: 449-56 (2000)


BindingDB Entry DOI: 10.7270/Q2542P9M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50175833
PNG
(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(...)
Show SMILES Clc1ccc(NC(=O)CCN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C18H23ClN4O/c19-15-1-3-16(4-2-15)22-18(24)7-10-23-8-5-14(6-9-23)11-17-12-20-13-21-17/h1-4,12-14H,5-11H2,(H,20,21)(H,22,24)
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1.70n/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 histamine H3 receptor in human brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50084879
PNG
(CHEMBL141084 | [8-(2,4-Dichloro-phenyl)-2,7-dimeth...)
Show SMILES COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(7.68,2.14,;6.65,3.27,;5.14,2.94,;4.12,4.1,;2.61,3.75,;1.57,4.9,;.08,4.58,;-.96,5.7,;-2.47,5.38,;2.13,2.3,;.64,1.96,;.17,.5,;-1.34,.16,;1.22,-.62,;2.71,-.3,;3.96,-1.2,;5.2,-.3,;6.65,-.77,;4.72,1.18,;3.18,1.16,;3.96,-2.74,;2.64,-3.51,;2.64,-5.05,;3.96,-5.82,;3.96,-7.36,;5.3,-5.05,;5.3,-3.51,;6.62,-2.73,)|
Show InChI InChI=1S/C19H23Cl2N5O2/c1-12-17(15-6-5-14(20)11-16(15)21)18-22-13(2)23-19(26(18)24-12)25(7-9-27-3)8-10-28-4/h5-6,11H,7-10H2,1-4H3
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1.80n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-tyrosine-ovine-CRF from human Corticotropin releasing factor receptor 1


J Med Chem 43: 449-56 (2000)


BindingDB Entry DOI: 10.7270/Q2542P9M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50175828
PNG
(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(...)
Show SMILES Fc1cccc(NC(=O)CCN2CCC(Cc3cnc[nH]3)CC2)c1
Show InChI InChI=1S/C18H23FN4O/c19-15-2-1-3-16(11-15)22-18(24)6-9-23-7-4-14(5-8-23)10-17-12-20-13-21-17/h1-3,11-14H,4-10H2,(H,20,21)(H,22,24)
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1.90n/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 histamine H3 receptor in human brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50084872
PNG
(CHEMBL138155 | [8-(2,4-Dichloro-phenyl)-2,7-dimeth...)
Show SMILES CCC(COC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(7.35,1.18,;6.96,-.3,;5.47,-.72,;4.4,.37,;4.78,1.85,;3.67,2.94,;5.1,-2.22,;4.62,-3.67,;3.12,-4.02,;2.66,-5.47,;1.16,-5.82,;3.7,-6.59,;5.2,-6.27,;6.43,-7.17,;7.68,-6.27,;9.14,-6.75,;7.2,-4.79,;5.66,-4.82,;6.43,-8.71,;5.13,-9.48,;5.13,-11.02,;6.43,-11.79,;6.43,-13.33,;7.8,-11.02,;7.8,-9.48,;9.11,-8.71,)|
Show InChI InChI=1S/C18H21Cl2N5O/c1-5-13(9-26-4)23-18-22-11(3)21-17-16(10(2)24-25(17)18)14-7-6-12(19)8-15(14)20/h6-8,13H,5,9H2,1-4H3,(H,21,22,23)
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1.90n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-tyrosine-ovine-CRF from human Corticotropin releasing factor receptor 1


J Med Chem 43: 449-56 (2000)


BindingDB Entry DOI: 10.7270/Q2542P9M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50175836
PNG
(CHEMBL200643 | N-(3-(4-((1H-imidazol-4-yl)methyl)p...)
Show SMILES Clc1cccc(NCCCN2CCC(Cc3cnc[nH]3)CC2)c1
Show InChI InChI=1S/C18H25ClN4/c19-16-3-1-4-17(12-16)21-7-2-8-23-9-5-15(6-10-23)11-18-13-20-14-22-18/h1,3-4,12-15,21H,2,5-11H2,(H,20,22)
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2n/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 histamine H3 receptor in guinea pig brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50175827
PNG
(4-((1H-imidazol-4-yl)methyl)-1-heptylpiperidine | ...)
Show SMILES CCCCCCCN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C16H29N3/c1-2-3-4-5-6-9-19-10-7-15(8-11-19)12-16-13-17-14-18-16/h13-15H,2-12H2,1H3,(H,17,18)
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2n/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 histamine H3 receptor in guinea pig brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50175851
PNG
(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-p...)
Show SMILES O=C(CCN1CCC(Cc2cnc[nH]2)CC1)Nc1ccccc1
Show InChI InChI=1S/C18H24N4O/c23-18(21-16-4-2-1-3-5-16)8-11-22-9-6-15(7-10-22)12-17-13-19-14-20-17/h1-5,13-15H,6-12H2,(H,19,20)(H,21,23)
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2n/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 histamine H3 receptor in guinea pig brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50175846
PNG
(4-((1H-imidazol-4-yl)methyl)-1-(3-(3-chlorophenoxy...)
Show SMILES Clc1cccc(OCCCN2CCC(Cc3cnc[nH]3)CC2)c1
Show InChI InChI=1S/C18H24ClN3O/c19-16-3-1-4-18(12-16)23-10-2-7-22-8-5-15(6-9-22)11-17-13-20-14-21-17/h1,3-4,12-15H,2,5-11H2,(H,20,21)
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2n/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 histamine H3 receptor in guinea pig brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50175830
PNG
(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(...)
Show SMILES COc1ccc(NC(=O)CCN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C19H26N4O2/c1-25-18-4-2-16(3-5-18)22-19(24)8-11-23-9-6-15(7-10-23)12-17-13-20-14-21-17/h2-5,13-15H,6-12H2,1H3,(H,20,21)(H,22,24)
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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 histamine H3 receptor in guinea pig brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50175831
PNG
(CHEMBL373263 | methyl 4-(3-(4-((1H-imidazol-4-yl)m...)
Show SMILES COC(=O)c1ccc(NC(=O)CCN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C20H26N4O3/c1-27-20(26)16-2-4-17(5-3-16)23-19(25)8-11-24-9-6-15(7-10-24)12-18-13-21-14-22-18/h2-5,13-15H,6-12H2,1H3,(H,21,22)(H,23,25)
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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 histamine H3 receptor in guinea pig brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50175829
PNG
(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-c...)
Show SMILES O=C(CCN1CCC(Cc2cnc[nH]2)CC1)NC1CCCCC1
Show InChI InChI=1S/C18H30N4O/c23-18(21-16-4-2-1-3-5-16)8-11-22-9-6-15(7-10-22)12-17-13-19-14-20-17/h13-16H,1-12H2,(H,19,20)(H,21,23)
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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 histamine H3 receptor in guinea pig brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(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 histamine H3 receptor in guinea pig brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50175837
PNG
(1-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-3-p...)
Show SMILES O=C(CCOc1ccccc1)N1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C18H23N3O2/c22-18(8-11-23-17-4-2-1-3-5-17)21-9-6-15(7-10-21)12-16-13-19-14-20-16/h1-5,13-15H,6-12H2,(H,19,20)
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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 histamine H3 receptor in guinea pig brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50175838
PNG
(4-((1H-imidazol-4-yl)methyl)-1-(4-phenylbutyl)pipe...)
Show SMILES C(CCc1ccccc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C19H27N3/c1-2-6-17(7-3-1)8-4-5-11-22-12-9-18(10-13-22)14-19-15-20-16-21-19/h1-3,6-7,15-16,18H,4-5,8-14H2,(H,20,21)
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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 histamine H3 receptor in guinea pig brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50175857
PNG
(4-((1H-imidazol-4-yl)methyl)-1-(4-(4-chlorophenyl)...)
Show SMILES Clc1ccc(CCCCN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C19H26ClN3/c20-18-6-4-16(5-7-18)3-1-2-10-23-11-8-17(9-12-23)13-19-14-21-15-22-19/h4-7,14-15,17H,1-3,8-13H2,(H,21,22)
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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 histamine H3 receptor in guinea pig brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50084868
PNG
(CHEMBL141692 | [8-(2,4-Dichloro-phenyl)-2,7-dimeth...)
Show SMILES CCOCC(COCC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(7.15,7.54,;6.77,6.06,;7.87,4.97,;7.49,3.49,;8.6,2.41,;10.07,2.82,;10.46,4.3,;11.93,4.72,;12.32,6.21,;8.19,.9,;7.73,-.56,;6.22,-.9,;5.77,-2.35,;4.27,-2.69,;6.8,-3.48,;8.29,-3.15,;9.54,-4.05,;10.78,-3.14,;12.25,-3.63,;10.3,-1.68,;8.76,-1.7,;9.56,-5.58,;8.22,-6.36,;8.22,-7.9,;9.56,-8.67,;9.54,-10.21,;10.89,-7.9,;10.89,-6.35,;12.22,-5.58,)|
Show InChI InChI=1S/C20H25Cl2N5O2/c1-5-28-10-15(11-29-6-2)25-20-24-13(4)23-19-18(12(3)26-27(19)20)16-8-7-14(21)9-17(16)22/h7-9,15H,5-6,10-11H2,1-4H3,(H,23,24,25)
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6.20n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-tyrosine-ovine-CRF from human Corticotropin releasing factor receptor 1


J Med Chem 43: 449-56 (2000)


BindingDB Entry DOI: 10.7270/Q2542P9M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50175856
PNG
(CHEMBL200519 | N-(2-(4-((1H-imidazol-4-yl)methyl)p...)
Show SMILES Clc1ccc(cc1)C(=O)NCCN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C18H23ClN4O/c19-16-3-1-15(2-4-16)18(24)21-7-10-23-8-5-14(6-9-23)11-17-12-20-13-22-17/h1-4,12-14H,5-11H2,(H,20,22)(H,21,24)
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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 histamine H3 receptor in guinea pig brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50175832
PNG
(1-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-4-p...)
Show SMILES O=C(CCCc1ccccc1)N1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C19H25N3O/c23-19(8-4-7-16-5-2-1-3-6-16)22-11-9-17(10-12-22)13-18-14-20-15-21-18/h1-3,5-6,14-15,17H,4,7-13H2,(H,20,21)
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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 histamine H3 receptor in guinea pig brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50175845
PNG
(CHEMBL200806 | N-(3-(4-((1H-imidazol-4-yl)methyl)p...)
Show SMILES Clc1ccc(cc1)C(=O)NCCCN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C19H25ClN4O/c20-17-4-2-16(3-5-17)19(25)22-8-1-9-24-10-6-15(7-11-24)12-18-13-21-14-23-18/h2-5,13-15H,1,6-12H2,(H,21,23)(H,22,25)
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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 histamine H3 receptor in guinea pig brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50175844
PNG
(4-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(...)
Show SMILES Clc1ccc(NC(=O)CCCN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C19H25ClN4O/c20-16-3-5-17(6-4-16)23-19(25)2-1-9-24-10-7-15(8-11-24)12-18-13-21-14-22-18/h3-6,13-15H,1-2,7-12H2,(H,21,22)(H,23,25)
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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 histamine H3 receptor in guinea pig brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50175855
PNG
(1-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)hept...)
Show SMILES CCCCCCC(=O)N1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C16H27N3O/c1-2-3-4-5-6-16(20)19-9-7-14(8-10-19)11-15-12-17-13-18-15/h12-14H,2-11H2,1H3,(H,17,18)
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18n/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 histamine H3 receptor in guinea pig brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50175850
PNG
(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)p...)
Show SMILES N#Cc1ccc(OCCCN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C19H24N4O/c20-13-17-2-4-19(5-3-17)24-11-1-8-23-9-6-16(7-10-23)12-18-14-21-15-22-18/h2-5,14-16H,1,6-12H2,(H,21,22)
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20n/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 histamine H3 receptor in guinea pig brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50175848
PNG
(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(...)
Show SMILES Clc1ccc(CNC(=O)CCN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C19H25ClN4O/c20-17-3-1-16(2-4-17)12-22-19(25)7-10-24-8-5-15(6-9-24)11-18-13-21-14-23-18/h1-4,13-15H,5-12H2,(H,21,23)(H,22,25)
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21n/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 histamine H3 receptor in guinea pig brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50175826
PNG
(4-((1H-imidazol-4-yl)methyl)-1-(3-(phenylsulfonyl)...)
Show SMILES O=S(=O)(CCCN1CCC(Cc2cnc[nH]2)CC1)c1ccccc1
Show InChI InChI=1S/C18H25N3O2S/c22-24(23,18-5-2-1-3-6-18)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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25n/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 histamine H3 receptor in guinea pig brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50175854
PNG
(5-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(...)
Show SMILES Clc1ccc(NC(=O)CCCCN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C20H27ClN4O/c21-17-4-6-18(7-5-17)24-20(26)3-1-2-10-25-11-8-16(9-12-25)13-19-14-22-15-23-19/h4-7,14-16H,1-3,8-13H2,(H,22,23)(H,24,26)
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40n/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 histamine H3 receptor in guinea pig brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50175847
PNG
(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)p...)
Show SMILES O=NCc1ccc(OCCCN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C19H26N4O2/c24-22-13-17-2-4-19(5-3-17)25-11-1-8-23-9-6-16(7-10-23)12-18-14-20-15-21-18/h2-5,14-16H,1,6-13H2,(H,20,21)
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44n/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 histamine H3 receptor in guinea pig brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50084871
PNG
(CHEMBL334935 | [8-(2,4-Dichloro-phenyl)-2,7-dimeth...)
Show SMILES CN(c1ccccc1)c1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(1.23,2.46,;2.28,1.3,;3.79,1.64,;4.25,3.1,;5.74,3.43,;6.78,2.3,;6.32,.82,;4.81,.5,;1.81,-.16,;.3,-.49,;-.15,-1.96,;-1.66,-2.29,;.88,-3.08,;2.37,-2.76,;3.63,-3.66,;4.86,-2.74,;6.33,-3.22,;4.37,-1.28,;2.83,-1.29,;3.64,-5.18,;2.31,-5.97,;2.31,-7.51,;3.64,-8.28,;3.63,-9.82,;4.97,-7.51,;4.97,-5.95,;6.3,-5.18,)|
Show InChI InChI=1S/C20H17Cl2N5/c1-12-18(16-10-9-14(21)11-17(16)22)19-23-13(2)24-20(27(19)25-12)26(3)15-7-5-4-6-8-15/h4-11H,1-3H3
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44.5n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-tyrosine-ovine-CRF from human Corticotropin releasing factor receptor 1


J Med Chem 43: 449-56 (2000)


BindingDB Entry DOI: 10.7270/Q2542P9M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50175835
PNG
(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(...)
Show SMILES Clc1cccc(NC(=O)CC(=O)N2CCC(Cc3cnc[nH]3)CC2)c1
Show InChI InChI=1S/C18H21ClN4O2/c19-14-2-1-3-15(9-14)22-17(24)10-18(25)23-6-4-13(5-7-23)8-16-11-20-12-21-16/h1-3,9,11-13H,4-8,10H2,(H,20,21)(H,22,24)
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50n/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 histamine H3 receptor in guinea pig brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50175841
PNG
(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(...)
Show SMILES CN(C(=O)CCN1CCC(Cc2cnc[nH]2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H25ClN4O/c1-23(18-4-2-16(20)3-5-18)19(25)8-11-24-9-6-15(7-10-24)12-17-13-21-14-22-17/h2-5,13-15H,6-12H2,1H3,(H,21,22)
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60n/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 histamine H3 receptor in guinea pig brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50175849
PNG
(2-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(...)
Show SMILES Clc1ccc(NC(=O)CN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C17H21ClN4O/c18-14-1-3-15(4-2-14)21-17(23)11-22-7-5-13(6-8-22)9-16-10-19-12-20-16/h1-4,10,12-13H,5-9,11H2,(H,19,20)(H,21,23)
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90n/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 histamine H3 receptor in guinea pig brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50175842
PNG
(4-((1H-imidazol-4-yl)methyl)-N-(4-chlorophenyl)pip...)
Show SMILES Clc1ccc(NC(=O)N2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C16H19ClN4O/c17-13-1-3-14(4-2-13)20-16(22)21-7-5-12(6-8-21)9-15-10-18-11-19-15/h1-4,10-12H,5-9H2,(H,18,19)(H,20,22)
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160n/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 histamine H3 receptor in guinea pig brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50175853
PNG
(2-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(...)
Show SMILES Clc1ccc(NS(=O)(=O)CCN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C17H23ClN4O2S/c18-15-1-3-16(4-2-15)21-25(23,24)10-9-22-7-5-14(6-8-22)11-17-12-19-13-20-17/h1-4,12-14,21H,5-11H2,(H,19,20)
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170n/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 histamine H3 receptor in guinea pig brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50175833
PNG
(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(...)
Show SMILES Clc1ccc(NC(=O)CCN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C18H23ClN4O/c19-15-1-3-16(4-2-15)22-18(24)7-10-23-8-5-14(6-9-23)11-17-12-20-13-21-17/h1-4,12-14H,5-11H2,(H,20,21)(H,22,24)
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290n/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 histamine H1 receptor in guinea pig brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50175852
PNG
(CHEMBL199520 | methyl 4-(3-(4-((1H-imidazol-4-yl)m...)
Show SMILES COC(=O)c1ccc(OCCC(=O)N2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C20H25N3O4/c1-26-20(25)16-2-4-18(5-3-16)27-11-8-19(24)23-9-6-15(7-10-23)12-17-13-21-14-22-17/h2-5,13-15H,6-12H2,1H3,(H,21,22)
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625n/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 histamine H3 receptor in guinea pig brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50175840
PNG
(4-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(...)
Show SMILES Clc1ccc(NC(=O)CCC(=O)N2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C19H23ClN4O2/c20-15-1-3-16(4-2-15)23-18(25)5-6-19(26)24-9-7-14(8-10-24)11-17-12-21-13-22-17/h1-4,12-14H,5-11H2,(H,21,22)(H,23,25)
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970n/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 histamine H3 receptor in guinea pig brain


Bioorg Med Chem Lett 16: 395-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.076
BindingDB Entry DOI: 10.7270/Q29S1QK1
More data for this
Ligand-Target Pair
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