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Compile Data Set for Download or QSAR

Found 318 hits with Last Name = 'rosenblum' and Initial = 'sb'   
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)		BDBM50441652
PNG
(CHEMBL2437433)
Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(-c3cnccn3)c2=O)ccn1
Show InChI InChI=1S/C28H31FN8O2/c29-21-1-2-23-24(16-21)37(26-17-31-9-10-33-26)28(39)36(23)22-6-13-35(14-7-22)27(38)20-4-11-34(12-5-20)18-19-3-8-32-25(30)15-19/h1-3,8-10,15-17,20,22H,4-7,11-14,18H2,(H2,30,32)
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 0.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates

Bioorg Med Chem Lett 23: 6001-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)		BDBM50441649
PNG
(CHEMBL2437416)
Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccccc3[nH]c2=O)ccn1
Show InChI InChI=1S/C24H30N6O2/c25-22-15-17(5-10-26-22)16-28-11-6-18(7-12-28)23(31)29-13-8-19(9-14-29)30-21-4-2-1-3-20(21)27-24(30)32/h1-5,10,15,18-19H,6-9,11-14,16H2,(H2,25,26)(H,27,32)
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 0.600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates

Bioorg Med Chem Lett 23: 6001-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)		BDBM50441646
PNG
(CHEMBL2437421)
Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccccc3n(CCN3CCOCC3)c2=O)ccn1
Show InChI InChI=1S/C30H41N7O3/c31-28-21-23(5-10-32-28)22-34-11-6-24(7-12-34)29(38)35-13-8-25(9-14-35)37-27-4-2-1-3-26(27)36(30(37)39)16-15-33-17-19-40-20-18-33/h1-5,10,21,24-25H,6-9,11-20,22H2,(H2,31,32)
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 0.700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates

Bioorg Med Chem Lett 23: 6001-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)		BDBM50441637
PNG
(CHEMBL2437430)
Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(-c3cc(F)cc(F)c3)c2=O)ccn1
Show InChI InChI=1S/C30H31F3N6O2/c31-21-1-2-26-27(17-21)39(25-15-22(32)14-23(33)16-25)30(41)38(26)24-6-11-37(12-7-24)29(40)20-4-9-36(10-5-20)18-19-3-8-35-28(34)13-19/h1-3,8,13-17,20,24H,4-7,9-12,18H2,(H2,34,35)
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 0.950n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates

Bioorg Med Chem Lett 23: 6001-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)		BDBM50441647
PNG
(CHEMBL2437420)
Show SMILES COCCn1c2ccccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccnc(N)c3)CC2)c1=O
Show InChI InChI=1S/C27H36N6O3/c1-36-17-16-32-23-4-2-3-5-24(23)33(27(32)35)22-9-14-31(15-10-22)26(34)21-7-12-30(13-8-21)19-20-6-11-29-25(28)18-20/h2-6,11,18,21-22H,7-10,12-17,19H2,1H3,(H2,28,29)
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 1.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates

Bioorg Med Chem Lett 23: 6001-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)		BDBM50441642
PNG
(CHEMBL2437425)
Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(CC(F)(F)F)c2=O)ccn1
Show InChI InChI=1S/C26H30F4N6O2/c27-19-1-2-21-22(14-19)35(16-26(28,29)30)25(38)36(21)20-6-11-34(12-7-20)24(37)18-4-9-33(10-5-18)15-17-3-8-32-23(31)13-17/h1-3,8,13-14,18,20H,4-7,9-12,15-16H2,(H2,31,32)
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 1.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates

Bioorg Med Chem Lett 23: 6001-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)		BDBM50441641
PNG
(CHEMBL2437426)
Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(CC3CC3)c2=O)ccn1
Show InChI InChI=1S/C28H35FN6O2/c29-22-3-4-24-25(16-22)34(18-19-1-2-19)28(37)35(24)23-8-13-33(14-9-23)27(36)21-6-11-32(12-7-21)17-20-5-10-31-26(30)15-20/h3-5,10,15-16,19,21,23H,1-2,6-9,11-14,17-18H2,(H2,30,31)
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 2.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates

Bioorg Med Chem Lett 23: 6001-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)		BDBM50441645
PNG
(CHEMBL2437422)
Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(CCN3CCOCC3)c2=O)ccn1
Show InChI InChI=1S/C30H40FN7O3/c31-24-1-2-26-27(20-24)37(14-13-34-15-17-41-18-16-34)30(40)38(26)25-6-11-36(12-7-25)29(39)23-4-9-35(10-5-23)21-22-3-8-33-28(32)19-22/h1-3,8,19-20,23,25H,4-7,9-18,21H2,(H2,32,33)
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 2.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates

Bioorg Med Chem Lett 23: 6001-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)		BDBM50441654
PNG
(CHEMBL2437431)
Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(-c3ccccn3)c2=O)ccn1
Show InChI InChI=1S/C29H32FN7O2/c30-22-4-5-24-25(18-22)37(27-3-1-2-11-33-27)29(39)36(24)23-9-15-35(16-10-23)28(38)21-7-13-34(14-8-21)19-20-6-12-32-26(31)17-20/h1-6,11-12,17-18,21,23H,7-10,13-16,19H2,(H2,31,32)
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 2.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates

Bioorg Med Chem Lett 23: 6001-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)		BDBM50441638
PNG
(CHEMBL2437429)
Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(-c3ccc(F)c(F)c3)c2=O)ccn1
Show InChI InChI=1S/C30H31F3N6O2/c31-21-1-4-26-27(16-21)39(23-2-3-24(32)25(33)17-23)30(41)38(26)22-8-13-37(14-9-22)29(40)20-6-11-36(12-7-20)18-19-5-10-35-28(34)15-19/h1-5,10,15-17,20,22H,6-9,11-14,18H2,(H2,34,35)
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 2.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates

Bioorg Med Chem Lett 23: 6001-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(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
Histamine H3 receptor


(GUINEA PIG)		BDBM50441644
PNG
(CHEMBL2437423)
Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(CCCC(F)(F)F)c2=O)ccn1
Show InChI InChI=1S/C28H34F4N6O2/c29-21-2-3-23-24(17-21)37(11-1-9-28(30,31)32)27(40)38(23)22-7-14-36(15-8-22)26(39)20-5-12-35(13-6-20)18-19-4-10-34-25(33)16-19/h2-4,10,16-17,20,22H,1,5-9,11-15,18H2,(H2,33,34)
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 3.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates

Bioorg Med Chem Lett 23: 6001-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)		BDBM50441653
PNG
(CHEMBL2437432)
Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(-c3ncccn3)c2=O)ccn1
Show InChI InChI=1S/C28H31FN8O2/c29-21-2-3-23-24(17-21)37(27-32-9-1-10-33-27)28(39)36(23)22-7-14-35(15-8-22)26(38)20-5-12-34(13-6-20)18-19-4-11-31-25(30)16-19/h1-4,9-11,16-17,20,22H,5-8,12-15,18H2,(H2,30,31)
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 4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates

Bioorg Med Chem Lett 23: 6001-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(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
Histamine H3 receptor


(GUINEA PIG)		BDBM50441651
PNG
(CHEMBL2437417)
Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccccc3n(CCCC(F)(F)F)c2=O)ccn1
Show InChI InChI=1S/C28H35F3N6O2/c29-28(30,31)11-3-13-36-23-4-1-2-5-24(23)37(27(36)39)22-9-16-35(17-10-22)26(38)21-7-14-34(15-8-21)19-20-6-12-33-25(32)18-20/h1-2,4-6,12,18,21-22H,3,7-11,13-17,19H2,(H2,32,33)
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 4.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates

Bioorg Med Chem Lett 23: 6001-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(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
Histamine H3 receptor


(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
Histamine H3 receptor


(GUINEA PIG)		BDBM50441640
PNG
(CHEMBL2437427)
Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(C3CCCC3)c2=O)ccn1
Show InChI InChI=1S/C29H37FN6O2/c30-22-5-6-25-26(18-22)36(23-3-1-2-4-23)29(38)35(25)24-10-15-34(16-11-24)28(37)21-8-13-33(14-9-21)19-20-7-12-32-27(31)17-20/h5-7,12,17-18,21,23-24H,1-4,8-11,13-16,19H2,(H2,31,32)
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 5.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates

Bioorg Med Chem Lett 23: 6001-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)		BDBM50441655
PNG
(CHEMBL2437415)
Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(Cc3ccccc3)c2=O)ccn1
Show InChI InChI=1S/C31H35FN6O2/c32-25-6-7-27-28(19-25)37(21-22-4-2-1-3-5-22)31(40)38(27)26-11-16-36(17-12-26)30(39)24-9-14-35(15-10-24)20-23-8-13-34-29(33)18-23/h1-8,13,18-19,24,26H,9-12,14-17,20-21H2,(H2,33,34)
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 6n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates

Bioorg Med Chem Lett 23: 6001-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(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
Histamine H3 receptor


(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
Histamine H3 receptor


(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
Histamine H3 receptor


(GUINEA PIG)		BDBM50441643
PNG
(CHEMBL2437424)
Show SMILES CC(C)Cn1c2cc(F)ccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccnc(N)c3)CC2)c1=O
Show InChI InChI=1S/C28H37FN6O2/c1-19(2)17-34-25-16-22(29)3-4-24(25)35(28(34)37)23-8-13-33(14-9-23)27(36)21-6-11-32(12-7-21)18-20-5-10-31-26(30)15-20/h3-5,10,15-16,19,21,23H,6-9,11-14,17-18H2,1-2H3,(H2,30,31)
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 7.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates

Bioorg Med Chem Lett 23: 6001-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(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
Histamine H3 receptor


(GUINEA PIG)		BDBM50441656
PNG
(CHEMBL2437414)
Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccccc3n(Cc3ccc(Cl)cc3)c2=O)ccn1
Show InChI InChI=1S/C31H35ClN6O2/c32-25-7-5-22(6-8-25)21-37-27-3-1-2-4-28(27)38(31(37)40)26-12-17-36(18-13-26)30(39)24-10-15-35(16-11-24)20-23-9-14-34-29(33)19-23/h1-9,14,19,24,26H,10-13,15-18,20-21H2,(H2,33,34)
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 12n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates

Bioorg Med Chem Lett 23: 6001-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50301329
PNG
(5-chloro-6-(4-((2S)-1-(4-chlorobenzyl)-2-methylpip...)
Show SMILES C[C@H]1CC(CCN1Cc1ccc(Cl)cc1)N1CCN(CC1)c1ncc(cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C30H33Cl4N5O/c1-20-14-25(8-9-39(20)19-21-2-5-24(31)6-3-21)37-10-12-38(13-11-37)29-28(34)16-23(18-35-29)30(40)36-17-22-4-7-26(32)27(33)15-22/h2-7,15-16,18,20,25H,8-14,17,19H2,1H3,(H,36,40)/t20-,25?/m0/s1
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 16n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of 125I-IP10 from recombinant human CXCR3 receptor expressed in Ba/F3 cell membrane after 1 to 4 hrs by scintillation counting

Bioorg Med Chem Lett 19: 5205-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.020
BindingDB Entry DOI: 10.7270/Q21V5F18
More data for this
Ligand-Target Pair
Histamine H3 receptor


(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
Histamine H3 receptor


(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
Histamine H3 receptor


(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
Histamine H3 receptor


(GUINEA PIG)		BDBM50112013
PNG
((3,4-Dichloro-phenyl)-carbamic acid 4-(1H-imidazol...)
Show SMILES Clc1ccc(NC(=O)OCc2ccc(Cc3cnc[nH]3)cc2)cc1Cl
Show InChI InChI=1S/C18H15Cl2N3O2/c19-16-6-5-14(8-17(16)20)23-18(24)25-10-13-3-1-12(2-4-13)7-15-9-21-11-22-15/h1-6,8-9,11H,7,10H2,(H,21,22)(H,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
Histamine H3 receptor


(GUINEA PIG)		BDBM50441639
PNG
(CHEMBL2437428)
Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(CC3CCCCC3)c2=O)ccn1
Show InChI InChI=1S/C31H41FN6O2/c32-25-6-7-27-28(19-25)37(21-22-4-2-1-3-5-22)31(40)38(27)26-11-16-36(17-12-26)30(39)24-9-14-35(15-10-24)20-23-8-13-34-29(33)18-23/h6-8,13,18-19,22,24,26H,1-5,9-12,14-17,20-21H2,(H2,33,34)
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 19n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates

Bioorg Med Chem Lett 23: 6001-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)		BDBM50112019
PNG
(1-(4-Chloro-phenyl)-3-[4-(1H-imidazol-4-ylmethyl)-...)
Show SMILES Clc1ccc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)cc1
Show InChI InChI=1S/C18H17ClN4O/c19-15-5-7-16(8-6-15)23-18(24)21-10-14-3-1-13(2-4-14)9-17-11-20-12-22-17/h1-8,11-12H,9-10H2,(H,20,22)(H2,21,23,24)
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 21n/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
Histamine H3 receptor


(GUINEA PIG)		BDBM50112017
PNG
(1-(3,5-Bis-trifluoromethyl-phenyl)-3-[4-(1H-imidaz...)
Show SMILES FC(F)(F)c1cc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C20H16F6N4O/c21-19(22,23)14-6-15(20(24,25)26)8-16(7-14)30-18(31)28-9-13-3-1-12(2-4-13)5-17-10-27-11-29-17/h1-4,6-8,10-11H,5,9H2,(H,27,29)(H2,28,30,31)
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 22n/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
Histamine H3 receptor


(GUINEA PIG)		BDBM50112016
PNG
((4-Chloro-phenyl)-carbamic acid 4-(1H-imidazol-4-y...)
Show SMILES Clc1ccc(NC(=O)OCc2ccc(Cc3cnc[nH]3)cc2)cc1
Show InChI InChI=1S/C18H16ClN3O2/c19-15-5-7-16(8-6-15)22-18(23)24-11-14-3-1-13(2-4-14)9-17-10-20-12-21-17/h1-8,10,12H,9,11H2,(H,20,21)(H,22,23)
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 25n/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
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50301330
PNG
(5-chloro-6-(4-((2S)-1-(4-chlorobenzyl)-2-methylpip...)
Show SMILES CNC(=O)c1cnc(N2CCN(CC2)C2CCN(Cc3ccc(Cl)cc3)[C@@H](C)C2)c(Cl)c1 |r|
Show InChI InChI=1S/C24H31Cl2N5O/c1-17-13-21(7-8-31(17)16-18-3-5-20(25)6-4-18)29-9-11-30(12-10-29)23-22(26)14-19(15-28-23)24(32)27-2/h3-6,14-15,17,21H,7-13,16H2,1-2H3,(H,27,32)/t17-,21?/m0/s1
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 32n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of 125I-IP10 from recombinant human CXCR3 receptor expressed in Ba/F3 cell membrane after 1 to 4 hrs by scintillation counting

Bioorg Med Chem Lett 19: 5205-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.020
BindingDB Entry DOI: 10.7270/Q21V5F18
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)		BDBM50112008
PNG
(1-(2-Chloro-phenyl)-3-[4-(1H-imidazol-4-ylmethyl)-...)
Show SMILES Clc1ccccc1NC(=O)NCc1ccc(Cc2cnc[nH]2)cc1
Show InChI InChI=1S/C18H17ClN4O/c19-16-3-1-2-4-17(16)23-18(24)21-10-14-7-5-13(6-8-14)9-15-11-20-12-22-15/h1-8,11-12H,9-10H2,(H,20,22)(H2,21,23,24)
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 32n/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
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50301351
PNG
(5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)pi...)
Show SMILES Clc1ccc(CN2CCC(CC2)N2CCN(CC2)c2ncc(cc2Cl)C(=O)NCc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C29H31Cl4N5O/c30-23-4-1-20(2-5-23)19-36-9-7-24(8-10-36)37-11-13-38(14-12-37)28-27(33)16-22(18-34-28)29(39)35-17-21-3-6-25(31)26(32)15-21/h1-6,15-16,18,24H,7-14,17,19H2,(H,35,39)
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 35n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of 125I-IP10 from recombinant human CXCR3 receptor expressed in Ba/F3 cell membrane after 1 to 4 hrs by scintillation counting

Bioorg Med Chem Lett 19: 5205-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.020
BindingDB Entry DOI: 10.7270/Q21V5F18
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)		BDBM50112027
PNG
(CHEMBL172610 | Phenyl-carbamic acid 4-(1H-imidazol...)
Show SMILES O=C(Nc1ccccc1)OCc1ccc(Cc2cnc[nH]2)cc1
Show InChI InChI=1S/C18H17N3O2/c22-18(21-16-4-2-1-3-5-16)23-12-15-8-6-14(7-9-15)10-17-11-19-13-20-17/h1-9,11,13H,10,12H2,(H,19,20)(H,21,22)
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 37n/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
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50301340
PNG
(5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)pi...)
Show SMILES Clc1ccc(CN2CCC(CC2)N2CCN(CC2)c2ncc(cc2Cl)C(=O)NCCOc2ccccc2)cc1
Show InChI InChI=1S/C30H35Cl2N5O2/c31-25-8-6-23(7-9-25)22-35-13-10-26(11-14-35)36-15-17-37(18-16-36)29-28(32)20-24(21-34-29)30(38)33-12-19-39-27-4-2-1-3-5-27/h1-9,20-21,26H,10-19,22H2,(H,33,38)
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 70n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of 125I-IP10 from recombinant human CXCR3 receptor expressed in Ba/F3 cell membrane after 1 to 4 hrs by scintillation counting

Bioorg Med Chem Lett 19: 5205-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.020
BindingDB Entry DOI: 10.7270/Q21V5F18
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)		BDBM50441650
PNG
(CHEMBL2437418)
Show SMILES CC(c1ccc(Cl)c(Cl)c1)n1c2ccccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccnc(N)c3)CC2)c1=O
Show InChI InChI=1S/C32H36Cl2N6O2/c1-21(24-6-7-26(33)27(34)19-24)39-28-4-2-3-5-29(28)40(32(39)42)25-11-16-38(17-12-25)31(41)23-9-14-37(15-10-23)20-22-8-13-36-30(35)18-22/h2-8,13,18-19,21,23,25H,9-12,14-17,20H2,1H3,(H2,35,36)
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 77n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates

Bioorg Med Chem Lett 23: 6001-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50301341
PNG
(6-(4-(1-(4-bromobenzyl)piperidin-4-yl)piperazin-1-...)
Show SMILES Clc1cc(cnc1N1CCN(CC1)C1CCN(Cc2ccc(Br)cc2)CC1)C(=O)NCCOc1ccccc1
Show InChI InChI=1S/C30H35BrClN5O2/c31-25-8-6-23(7-9-25)22-35-13-10-26(11-14-35)36-15-17-37(18-16-36)29-28(32)20-24(21-34-29)30(38)33-12-19-39-27-4-2-1-3-5-27/h1-9,20-21,26H,10-19,22H2,(H,33,38)
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 85n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of 125I-IP10 from recombinant human CXCR3 receptor expressed in Ba/F3 cell membrane after 1 to 4 hrs by scintillation counting

Bioorg Med Chem Lett 19: 5205-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.020
BindingDB Entry DOI: 10.7270/Q21V5F18
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50301328
PNG
((R)-5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-y...)
Show SMILES C[C@@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1ncc(cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C30H33Cl4N5O/c1-20-18-38(12-13-39(20)25-8-10-37(11-9-25)19-21-2-5-24(31)6-3-21)29-28(34)15-23(17-35-29)30(40)36-16-22-4-7-26(32)27(33)14-22/h2-7,14-15,17,20,25H,8-13,16,18-19H2,1H3,(H,36,40)/t20-/m1/s1
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 86n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of 125I-IP10 from recombinant human CXCR3 receptor expressed in Ba/F3 cell membrane after 1 to 4 hrs by scintillation counting

Bioorg Med Chem Lett 19: 5205-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.020
BindingDB Entry DOI: 10.7270/Q21V5F18
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50301326
PNG
(5-chloro-6-(4-(1-(4-cyanobenzyl)piperidin-4-yl)pip...)
Show SMILES Fc1ccc(CNC(=O)c2cnc(N3CCN(CC3)C3CCN(Cc4ccc(cc4)C#N)CC3)c(Cl)c2)cc1
Show InChI InChI=1S/C30H32ClFN6O/c31-28-17-25(30(39)35-19-23-5-7-26(32)8-6-23)20-34-29(28)38-15-13-37(14-16-38)27-9-11-36(12-10-27)21-24-3-1-22(18-33)2-4-24/h1-8,17,20,27H,9-16,19,21H2,(H,35,39)
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 90n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of 125I-IP10 from recombinant human CXCR3 receptor expressed in Ba/F3 cell membrane after 1 to 4 hrs by scintillation counting

Bioorg Med Chem Lett 19: 5205-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.020
BindingDB Entry DOI: 10.7270/Q21V5F18
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)		BDBM50112026
PNG
(1-(3,5-Bis-trifluoromethyl-benzyl)-3-[4-(1H-imidaz...)
Show SMILES FC(F)(F)c1cc(CNC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C21H18F6N4O/c22-20(23,24)16-5-15(6-17(8-16)21(25,26)27)10-30-19(32)29-9-14-3-1-13(2-4-14)7-18-11-28-12-31-18/h1-6,8,11-12H,7,9-10H2,(H,28,31)(H2,29,30,32)
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 90n/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
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50301335
PNG
(5-chloro-6-(4-(1-(4-cyanobenzyl)piperidin-4-yl)pip...)
Show SMILES Clc1cc(cnc1N1CCN(CC1)C1CCN(Cc2ccc(cc2)C#N)CC1)C(=O)NCCOc1ccccc1
Show InChI InChI=1S/C31H35ClN6O2/c32-29-20-26(31(39)34-12-19-40-28-4-2-1-3-5-28)22-35-30(29)38-17-15-37(16-18-38)27-10-13-36(14-11-27)23-25-8-6-24(21-33)7-9-25/h1-9,20,22,27H,10-19,23H2,(H,34,39)
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 110n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of 125I-IP10 from recombinant human CXCR3 receptor expressed in Ba/F3 cell membrane after 1 to 4 hrs by scintillation counting

Bioorg Med Chem Lett 19: 5205-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.020
BindingDB Entry DOI: 10.7270/Q21V5F18
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50301344
PNG
(5-chloro-6-(4-(1-(4-methoxybenzyl)piperidin-4-yl)p...)
Show SMILES COc1ccc(CN2CCC(CC2)N2CCN(CC2)c2ncc(cc2Cl)C(=O)NCCOc2ccccc2)cc1
Show InChI InChI=1S/C31H38ClN5O3/c1-39-27-9-7-24(8-10-27)23-35-14-11-26(12-15-35)36-16-18-37(19-17-36)30-29(32)21-25(22-34-30)31(38)33-13-20-40-28-5-3-2-4-6-28/h2-10,21-22,26H,11-20,23H2,1H3,(H,33,38)
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 120n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of 125I-IP10 from recombinant human CXCR3 receptor expressed in Ba/F3 cell membrane after 1 to 4 hrs by scintillation counting

Bioorg Med Chem Lett 19: 5205-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.020
BindingDB Entry DOI: 10.7270/Q21V5F18
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)		BDBM50112023
PNG
(1-(3,5-Dichloro-phenyl)-3-[4-(1H-imidazol-4-ylmeth...)
Show SMILES Clc1cc(Cl)cc(NC(=O)Nc2ccc(Cc3cnc[nH]3)cc2)c1
Show InChI InChI=1S/C17H14Cl2N4O/c18-12-6-13(19)8-15(7-12)23-17(24)22-14-3-1-11(2-4-14)5-16-9-20-10-21-16/h1-4,6-10H,5H2,(H,20,21)(H2,22,23,24)
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 120n/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
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50301348
PNG
(CHEMBL577409 | N-benzyl-5-chloro-6-(4-(1-(4-chloro...)
Show SMILES Clc1ccc(CN2CCC(CC2)N2CCN(CC2)c2ncc(cc2Cl)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C29H33Cl2N5O/c30-25-8-6-23(7-9-25)21-34-12-10-26(11-13-34)35-14-16-36(17-15-35)28-27(31)18-24(20-32-28)29(37)33-19-22-4-2-1-3-5-22/h1-9,18,20,26H,10-17,19,21H2,(H,33,37)
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 140n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of 125I-IP10 from recombinant human CXCR3 receptor expressed in Ba/F3 cell membrane after 1 to 4 hrs by scintillation counting

Bioorg Med Chem Lett 19: 5205-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.020
BindingDB Entry DOI: 10.7270/Q21V5F18
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50301342
PNG
(5-chloro-6-(4-(1-(4-fluorobenzyl)piperidin-4-yl)pi...)
Show SMILES Fc1ccc(CN2CCC(CC2)N2CCN(CC2)c2ncc(cc2Cl)C(=O)NCCOc2ccccc2)cc1
Show InChI InChI=1S/C30H35ClFN5O2/c31-28-20-24(30(38)33-12-19-39-27-4-2-1-3-5-27)21-34-29(28)37-17-15-36(16-18-37)26-10-13-35(14-11-26)22-23-6-8-25(32)9-7-23/h1-9,20-21,26H,10-19,22H2,(H,33,38)
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 160n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of 125I-IP10 from recombinant human CXCR3 receptor expressed in Ba/F3 cell membrane after 1 to 4 hrs by scintillation counting

Bioorg Med Chem Lett 19: 5205-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.020
BindingDB Entry DOI: 10.7270/Q21V5F18
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)		BDBM50112022
PNG
(1-[4-(1H-Imidazol-4-ylmethyl)-benzyl]-3-pyridin-3-...)
Show SMILES O=C(NCc1ccc(Cc2cnc[nH]2)cc1)Nc1cccnc1
Show InChI InChI=1S/C17H17N5O/c23-17(22-15-2-1-7-18-10-15)20-9-14-5-3-13(4-6-14)8-16-11-19-12-21-16/h1-7,10-12H,8-9H2,(H,19,21)(H2,20,22,23)
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 270n/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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