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Compile Data Set for Download or QSAR

Found 159 hits with Last Name = 'de kloe' and Initial = 'g'   
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 H4 receptor


(Homo sapiens (Human))
BDBM50414391
PNG
(CHEMBL1202332 | CHEMBL553423)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)c(Cl)c1 |w:11.12|
Show InChI InChI=1S/C14H16Cl2N4S/c15-12-4-3-10(6-13(12)16)7-19-14(17)21-5-1-2-11-8-18-9-20-11/h3-4,6,8-9H,1-2,5,7H2,(H2,17,19)(H,18,20)
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1.58n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Agonistic activity at histamine H4 receptor


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50419048
PNG
(CHEMBL1824048)
Show SMILES CN1CCC(CC1)=Cc1nc2ccc(Cl)cc2[nH]1 |(32.19,-17.45,;31.42,-18.78,;32.19,-20.12,;31.43,-21.45,;29.89,-21.45,;29.11,-20.13,;29.88,-18.79,;29.13,-22.78,;27.59,-22.79,;26.69,-24.05,;25.22,-23.58,;23.88,-24.36,;22.54,-23.59,;22.55,-22.04,;21.21,-21.27,;23.87,-21.27,;25.21,-22.04,;26.67,-21.55,)|
Show InChI InChI=1S/C14H16ClN3/c1-18-6-4-10(5-7-18)8-14-16-12-3-2-11(15)9-13(12)17-14/h2-3,8-9H,4-7H2,1H3,(H,16,17)
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1.58n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5-HT3AR expressed in HEK293 cells after 24 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5460-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.123
BindingDB Entry DOI: 10.7270/Q2ZC844K
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50417105
PNG
(CHEMBL1258240)
Show SMILES Brc1ccc(NC(=O)O[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)cc1 |r,wU:9.8,wD:16.18,TLB:17:16:12.11:14.15,THB:8:9:12.11:14.15,(27.75,3.41,;26.42,4.2,;25.08,3.44,;23.76,4.23,;23.78,5.77,;22.46,6.56,;21.11,5.81,;21.09,4.27,;19.79,6.6,;18.44,5.84,;16.97,6.48,;15.62,5.88,;15.35,4.48,;16.71,5.11,;16.46,7.02,;16.9,8.14,;18.25,4.46,;19.01,3.12,;18.23,1.79,;16.69,1.81,;15.91,.49,;16.66,-.85,;18.21,-.86,;18.99,.46,;25.12,6.53,;26.44,5.74,)|
Show InChI InChI=1S/C20H22BrN3O2/c21-16-3-5-17(6-4-16)23-20(25)26-19-15-7-10-24(11-8-15)18(19)12-14-2-1-9-22-13-14/h1-6,9,13,15,18-19H,7-8,10-12H2,(H,23,25)/t18-,19+/m0/s1
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2.69n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells


J Med Chem 53: 7192-201 (2010)


Article DOI: 10.1021/jm100834y
BindingDB Entry DOI: 10.7270/Q21J9C1V
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50393247
PNG
(CHEMBL1258006)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1 |r,wU:3.2,wD:10.12,TLB:11:10:6.5:8.9,THB:2:3:6.5:8.9,(5.71,-17.16,;5.73,-15.62,;4.4,-14.83,;3.06,-15.59,;1.59,-14.95,;.24,-15.55,;-.04,-16.95,;1.33,-16.32,;1.07,-14.41,;1.52,-13.3,;2.87,-16.97,;3.63,-18.31,;2.84,-19.64,;1.3,-19.62,;.52,-20.94,;1.28,-22.29,;2.83,-22.3,;3.61,-20.97,;7.07,-14.87,;7.24,-13.35,;8.76,-13.04,;9.54,-11.72,;11.07,-11.74,;11.83,-13.08,;11.04,-14.41,;9.51,-14.39,;8.47,-15.52,)|
Show InChI InChI=1S/C22H23N3O2/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26)/t18-,21+/m0/s1
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2.75n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells


J Med Chem 53: 7192-201 (2010)


Article DOI: 10.1021/jm100834y
BindingDB Entry DOI: 10.7270/Q21J9C1V
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM26390
PNG
(4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-ami...)
Show SMILES CN1CCN(CC1)c1cc(nc(N)n1)-c1ccccc1
Show InChI InChI=1S/C15H19N5/c1-19-7-9-20(10-8-19)14-11-13(17-15(16)18-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,16,17,18)
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6.31n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4R receptor expressed in HEK293 cells at 10 uM after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5460-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.123
BindingDB Entry DOI: 10.7270/Q2ZC844K
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50418066
PNG
(CHEMBL1688976)
Show SMILES C(Cc1cnc[nH]1)Cn1cc(CC2CCCC2)nn1
Show InChI InChI=1S/C14H21N5/c1-2-5-12(4-1)8-14-10-19(18-17-14)7-3-6-13-9-15-11-16-13/h9-12H,1-8H2,(H,15,16)
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7.94n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50418058
PNG
(CHEMBL1688946)
Show SMILES C(Cc1cnc[nH]1)Cn1cc(CC2CCCCC2)nn1
Show InChI InChI=1S/C15H23N5/c1-2-5-13(6-3-1)9-15-11-20(19-18-15)8-4-7-14-10-16-12-17-14/h10-13H,1-9H2,(H,16,17)
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8.32n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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11.8n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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12.0n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50419047
PNG
(CHEMBL414183)
Show SMILES CN1CCN(CC1)c1nc2ccccc2[nH]c1=O
Show InChI InChI=1S/C13H16N4O/c1-16-6-8-17(9-7-16)12-13(18)15-11-5-3-2-4-10(11)14-12/h2-5H,6-9H2,1H3,(H,15,18)
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12.6n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5-HT3AR expressed in HEK293 cells after 24 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5460-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.123
BindingDB Entry DOI: 10.7270/Q2ZC844K
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50393248
PNG
(CHEMBL1258005)
Show SMILES Brc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:10.10,wD:17.20,TLB:18:17:13.12:15.16,THB:9:10:13.12:15.16,(-.69,-12.68,;-2.04,-13.43,;-2.06,-14.97,;-3.4,-15.72,;-4.72,-14.94,;-4.71,-13.4,;-3.37,-12.64,;-6.06,-15.69,;-6.08,-17.23,;-7.38,-14.9,;-8.73,-15.65,;-10.2,-15.01,;-11.56,-15.62,;-11.84,-17.01,;-10.46,-16.38,;-10.71,-14.48,;-10.27,-13.37,;-8.92,-17.03,;-8.16,-18.37,;-8.94,-19.7,;-10.48,-19.68,;-11.28,-21.01,;-10.51,-22.35,;-8.96,-22.36,;-8.18,-21.03,)|
Show InChI InChI=1S/C20H22BrN3O/c21-17-5-3-16(4-6-17)20(25)23-19-15-7-10-24(11-8-15)18(19)12-14-2-1-9-22-13-14/h1-6,9,13,15,18-19H,7-8,10-12H2,(H,23,25)/t18-,19+/m0/s1
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13.2n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells


J Med Chem 53: 7192-201 (2010)


Article DOI: 10.1021/jm100834y
BindingDB Entry DOI: 10.7270/Q21J9C1V
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50393247
PNG
(CHEMBL1258006)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1 |r,wU:3.2,wD:10.12,TLB:11:10:6.5:8.9,THB:2:3:6.5:8.9,(5.71,-17.16,;5.73,-15.62,;4.4,-14.83,;3.06,-15.59,;1.59,-14.95,;.24,-15.55,;-.04,-16.95,;1.33,-16.32,;1.07,-14.41,;1.52,-13.3,;2.87,-16.97,;3.63,-18.31,;2.84,-19.64,;1.3,-19.62,;.52,-20.94,;1.28,-22.29,;2.83,-22.3,;3.61,-20.97,;7.07,-14.87,;7.24,-13.35,;8.76,-13.04,;9.54,-11.72,;11.07,-11.74,;11.83,-13.08,;11.04,-14.41,;9.51,-14.39,;8.47,-15.52,)|
Show InChI InChI=1S/C22H23N3O2/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26)/t18-,21+/m0/s1
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14.4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system


J Med Chem 53: 7192-201 (2010)


Article DOI: 10.1021/jm100834y
BindingDB Entry DOI: 10.7270/Q21J9C1V
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50417105
PNG
(CHEMBL1258240)
Show SMILES Brc1ccc(NC(=O)O[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)cc1 |r,wU:9.8,wD:16.18,TLB:17:16:12.11:14.15,THB:8:9:12.11:14.15,(27.75,3.41,;26.42,4.2,;25.08,3.44,;23.76,4.23,;23.78,5.77,;22.46,6.56,;21.11,5.81,;21.09,4.27,;19.79,6.6,;18.44,5.84,;16.97,6.48,;15.62,5.88,;15.35,4.48,;16.71,5.11,;16.46,7.02,;16.9,8.14,;18.25,4.46,;19.01,3.12,;18.23,1.79,;16.69,1.81,;15.91,.49,;16.66,-.85,;18.21,-.86,;18.99,.46,;25.12,6.53,;26.44,5.74,)|
Show InChI InChI=1S/C20H22BrN3O2/c21-16-3-5-17(6-4-16)23-20(25)26-19-15-7-10-24(11-8-15)18(19)12-14-2-1-9-22-13-14/h1-6,9,13,15,18-19H,7-8,10-12H2,(H,23,25)/t18-,19+/m0/s1
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18.2n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system


J Med Chem 53: 7192-201 (2010)


Article DOI: 10.1021/jm100834y
BindingDB Entry DOI: 10.7270/Q21J9C1V
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50417090
PNG
(CHEMBL1258126)
Show SMILES O=C(Nc1ccccc1)O[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:10.10,wD:17.20,TLB:18:17:13.12:15.16,THB:9:10:13.12:15.16,(-6.3,4.21,;-6.28,5.75,;-4.93,6.5,;-3.61,5.71,;-3.63,4.18,;-2.31,3.39,;-.97,4.14,;-.95,5.69,;-2.27,6.47,;-7.6,6.54,;-8.95,5.79,;-10.41,6.43,;-11.77,5.82,;-12.06,4.43,;-10.67,5.06,;-10.93,6.96,;-10.48,8.08,;-9.14,4.41,;-8.38,3.07,;-9.16,1.74,;-10.7,1.76,;-11.5,.43,;-10.72,-.91,;-9.17,-.92,;-8.4,.41,)|
Show InChI InChI=1S/C20H23N3O2/c24-20(22-17-6-2-1-3-7-17)25-19-16-8-11-23(12-9-16)18(19)13-15-5-4-10-21-14-15/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,22,24)/t18-,19+/m0/s1
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18.6n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells


J Med Chem 53: 7192-201 (2010)


Article DOI: 10.1021/jm100834y
BindingDB Entry DOI: 10.7270/Q21J9C1V
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50418064
PNG
(CHEMBL1688974)
Show SMILES CC(C1CCCCC1)c1cn(CCCc2cnc[nH]2)nn1
Show InChI InChI=1S/C16H25N5/c1-13(14-6-3-2-4-7-14)16-11-21(20-19-16)9-5-8-15-10-17-12-18-15/h10-14H,2-9H2,1H3,(H,17,18)
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21.4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50161764
PNG
((R)-4-chloro-N-(quinuclidin-3-yl)benzamide | (R)-4...)
Show SMILES Clc1ccc(cc1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:10.10,TLB:9:10:14.13:16.17,(9.34,-31.61,;10.67,-32.38,;10.67,-33.92,;12,-34.69,;13.35,-33.92,;13.34,-32.37,;12,-31.6,;14.68,-34.69,;16.01,-33.92,;14.68,-36.23,;16.02,-37,;16.46,-35.89,;16.53,-37.53,;15.18,-38.13,;14.9,-39.53,;16.27,-38.89,;17.81,-39.55,;18,-38.17,)|
Show InChI InChI=1S/C14H17ClN2O/c15-12-3-1-11(2-4-12)14(18)16-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)/t13-/m0/s1
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24.6n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells


J Med Chem 53: 7192-201 (2010)


Article DOI: 10.1021/jm100834y
BindingDB Entry DOI: 10.7270/Q21J9C1V
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50417092
PNG
(CHEMBL1258241)
Show SMILES Brc1ccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)cc1 |r,wU:9.8,wD:16.18,TLB:17:16:12.11:14.15,THB:8:9:12.11:14.15,(.24,-7.48,;-1.08,-6.7,;-2.43,-7.45,;-3.75,-6.66,;-3.73,-5.12,;-5.05,-4.33,;-6.39,-5.08,;-6.41,-6.62,;-7.72,-4.3,;-9.06,-5.05,;-10.53,-4.41,;-11.89,-5.02,;-12.17,-6.41,;-10.79,-5.78,;-11.05,-3.87,;-10.6,-2.77,;-9.26,-6.43,;-8.5,-7.77,;-9.28,-9.1,;-10.82,-9.08,;-11.61,-10.4,;-10.84,-11.74,;-9.29,-11.75,;-8.52,-10.43,;-2.39,-4.37,;-1.07,-5.15,)|
Show InChI InChI=1S/C20H23BrN4O/c21-16-3-5-17(6-4-16)23-20(26)24-19-15-7-10-25(11-8-15)18(19)12-14-2-1-9-22-13-14/h1-6,9,13,15,18-19H,7-8,10-12H2,(H2,23,24,26)/t18-,19+/m0/s1
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25.7n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells


J Med Chem 53: 7192-201 (2010)


Article DOI: 10.1021/jm100834y
BindingDB Entry DOI: 10.7270/Q21J9C1V
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50417091
PNG
(CHEMBL1258127)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)Nc1ccccc1 |r,wU:3.2,wD:10.12,TLB:11:10:6.5:8.9,THB:2:3:6.5:8.9,(6.76,4.22,;6.78,5.76,;5.45,6.55,;4.11,5.8,;2.64,6.44,;1.29,5.83,;1.01,4.44,;2.38,5.07,;2.13,6.97,;2.57,8.09,;3.92,4.42,;4.68,3.08,;3.89,1.75,;2.35,1.77,;1.57,.44,;2.33,-.9,;3.88,-.91,;4.66,.42,;8.12,6.52,;9.45,5.73,;9.42,4.19,;10.75,3.4,;12.09,4.15,;12.11,5.7,;10.78,6.48,)|
Show InChI InChI=1S/C20H24N4O/c25-20(22-17-6-2-1-3-7-17)23-19-16-8-11-24(12-9-16)18(19)13-15-5-4-10-21-14-15/h1-7,10,14,16,18-19H,8-9,11-13H2,(H2,22,23,25)/t18-,19+/m0/s1
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28.8n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells


J Med Chem 53: 7192-201 (2010)


Article DOI: 10.1021/jm100834y
BindingDB Entry DOI: 10.7270/Q21J9C1V
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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29.5n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50418062
PNG
(CHEMBL1688972)
Show SMILES C(Cc1cnc[nH]1)Cn1cc(CCC2CCCCC2)nn1
Show InChI InChI=1S/C16H25N5/c1-2-5-14(6-3-1)8-9-16-12-21(20-19-16)10-4-7-15-11-17-13-18-15/h11-14H,1-10H2,(H,17,18)
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36.3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50417093
PNG
(CHEMBL1258358)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)Oc1ccccc1 |r,wU:3.2,wD:10.12,TLB:11:10:6.5:8.9,THB:2:3:6.5:8.9,(9.02,-7.03,;9.04,-5.49,;7.71,-4.7,;6.37,-5.45,;4.9,-4.81,;3.55,-5.42,;3.27,-6.81,;4.64,-6.18,;4.38,-4.27,;4.83,-3.16,;6.17,-6.83,;6.93,-8.17,;6.15,-9.5,;4.61,-9.48,;3.83,-10.81,;4.59,-12.15,;6.14,-12.16,;6.91,-10.83,;10.38,-4.73,;11.71,-5.52,;11.68,-7.06,;13,-7.85,;14.35,-7.1,;14.37,-5.55,;13.04,-4.77,)|
Show InChI InChI=1S/C20H23N3O2/c24-20(25-17-6-2-1-3-7-17)22-19-16-8-11-23(12-9-16)18(19)13-15-5-4-10-21-14-15/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,22,24)/t18-,19+/m0/s1
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37.1n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells


J Med Chem 53: 7192-201 (2010)


Article DOI: 10.1021/jm100834y
BindingDB Entry DOI: 10.7270/Q21J9C1V
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50417102
PNG
(CHEMBL1255908)
Show SMILES Brc1ccc(NC(=O)O[C@H]2CN3CCC2CC3)cc1 |r,wU:9.8,THB:8:9:12.13:16.15,(-.86,-29.32,;-2.18,-28.53,;-3.53,-29.28,;-4.85,-28.5,;-4.83,-26.95,;-6.15,-26.17,;-7.5,-26.92,;-7.52,-28.46,;-8.82,-26.13,;-10.17,-26.88,;-10.36,-28.26,;-11.91,-27.61,;-13.28,-28.24,;-13,-26.85,;-11.64,-26.24,;-11.71,-24.6,;-12.15,-25.71,;-3.49,-26.2,;-2.17,-26.98,)|
Show InChI InChI=1S/C14H17BrN2O2/c15-11-1-3-12(4-2-11)16-14(18)19-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)/t13-/m0/s1
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38.9n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells


J Med Chem 53: 7192-201 (2010)


Article DOI: 10.1021/jm100834y
BindingDB Entry DOI: 10.7270/Q21J9C1V
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50417100
PNG
(CHEMBL1258125)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cccs1 |r,wU:3.2,wD:10.12,TLB:11:10:6.5:8.9,THB:2:3:6.5:8.9,(18.11,-17.12,;18.13,-15.58,;16.81,-14.79,;15.46,-15.54,;14,-14.9,;12.64,-15.51,;12.37,-16.9,;13.74,-16.27,;13.48,-14.37,;13.93,-13.26,;15.27,-16.92,;16.03,-18.27,;15.25,-19.59,;13.71,-19.57,;12.93,-20.9,;13.69,-22.24,;15.24,-22.25,;16.01,-20.92,;19.48,-14.83,;19.65,-13.3,;21.16,-13,;21.91,-14.34,;20.87,-15.48,)|
Show InChI InChI=1S/C18H21N3OS/c22-18(16-4-2-10-23-16)20-17-14-5-8-21(9-6-14)15(17)11-13-3-1-7-19-12-13/h1-4,7,10,12,14-15,17H,5-6,8-9,11H2,(H,20,22)/t15-,17+/m0/s1
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43.6n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells


J Med Chem 53: 7192-201 (2010)


Article DOI: 10.1021/jm100834y
BindingDB Entry DOI: 10.7270/Q21J9C1V
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50417096
PNG
(CHEMBL1256000)
Show SMILES Brc1ccc(NC(=O)N[C@H]2CN3CCC2CC3)cc1 |r,wU:9.8,THB:8:9:12.13:16.15,(27.89,-28.62,;26.56,-27.83,;25.22,-28.59,;23.89,-27.8,;23.92,-26.26,;22.59,-25.47,;21.25,-26.22,;21.23,-27.76,;19.92,-25.43,;18.58,-26.19,;18.38,-27.57,;16.85,-26.91,;15.48,-27.55,;15.76,-26.15,;17.11,-25.55,;17.04,-23.9,;16.59,-25.01,;25.25,-25.5,;26.58,-26.28,)|
Show InChI InChI=1S/C14H18BrN3O/c15-11-1-3-12(4-2-11)16-14(19)17-13-9-18-7-5-10(13)6-8-18/h1-4,10,13H,5-9H2,(H2,16,17,19)/t13-/m0/s1
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43.6n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells


J Med Chem 53: 7192-201 (2010)


Article DOI: 10.1021/jm100834y
BindingDB Entry DOI: 10.7270/Q21J9C1V
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50418065
PNG
(CHEMBL1688975)
Show SMILES C(Cc1cnc[nH]1)Cn1cc(CC2CCCCCC2)nn1
Show InChI InChI=1S/C16H25N5/c1-2-4-7-14(6-3-1)10-16-12-21(20-19-16)9-5-8-15-11-17-13-18-15/h11-14H,1-10H2,(H,17,18)
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55.0n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50418064
PNG
(CHEMBL1688974)
Show SMILES CC(C1CCCCC1)c1cn(CCCc2cnc[nH]2)nn1
Show InChI InChI=1S/C16H25N5/c1-13(14-6-3-2-4-7-14)16-11-21(20-19-16)9-5-8-15-10-17-12-18-15/h10-14H,2-9H2,1H3,(H,17,18)
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60.3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50399818
PNG
(CHEMBL1257896)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccccc1 |r,wU:3.2,wD:10.12,TLB:11:10:6.5:8.9,THB:2:3:6.5:8.9,(23.13,-6.85,;23.15,-5.31,;21.83,-4.52,;20.48,-5.27,;19.01,-4.63,;17.66,-5.24,;17.38,-6.63,;18.75,-6,;18.5,-4.09,;18.94,-2.99,;20.29,-6.65,;21.05,-7.99,;20.26,-9.32,;18.72,-9.3,;17.94,-10.63,;18.7,-11.97,;20.25,-11.98,;21.03,-10.65,;24.49,-4.55,;25.81,-5.34,;27.16,-4.59,;27.18,-3.05,;25.84,-2.26,;24.51,-3.02,)|
Show InChI InChI=1S/C20H23N3O/c24-20(17-6-2-1-3-7-17)22-19-16-8-11-23(12-9-16)18(19)13-15-5-4-10-21-14-15/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,22,24)/t18-,19+/m0/s1
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61.7n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells


J Med Chem 53: 7192-201 (2010)


Article DOI: 10.1021/jm100834y
BindingDB Entry DOI: 10.7270/Q21J9C1V
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50417090
PNG
(CHEMBL1258126)
Show SMILES O=C(Nc1ccccc1)O[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:10.10,wD:17.20,TLB:18:17:13.12:15.16,THB:9:10:13.12:15.16,(-6.3,4.21,;-6.28,5.75,;-4.93,6.5,;-3.61,5.71,;-3.63,4.18,;-2.31,3.39,;-.97,4.14,;-.95,5.69,;-2.27,6.47,;-7.6,6.54,;-8.95,5.79,;-10.41,6.43,;-11.77,5.82,;-12.06,4.43,;-10.67,5.06,;-10.93,6.96,;-10.48,8.08,;-9.14,4.41,;-8.38,3.07,;-9.16,1.74,;-10.7,1.76,;-11.5,.43,;-10.72,-.91,;-9.17,-.92,;-8.4,.41,)|
Show InChI InChI=1S/C20H23N3O2/c24-20(22-17-6-2-1-3-7-17)25-19-16-8-11-23(12-9-16)18(19)13-15-5-4-10-21-14-15/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,22,24)/t18-,19+/m0/s1
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61.7n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system


J Med Chem 53: 7192-201 (2010)


Article DOI: 10.1021/jm100834y
BindingDB Entry DOI: 10.7270/Q21J9C1V
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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63.1n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50419047
PNG
(CHEMBL414183)
Show SMILES CN1CCN(CC1)c1nc2ccccc2[nH]c1=O
Show InChI InChI=1S/C13H16N4O/c1-16-6-8-17(9-7-16)12-13(18)15-11-5-3-2-4-10(11)14-12/h2-5H,6-9H2,1H3,(H,15,18)
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63.1n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4R receptor expressed in HEK293 cells at 10 uM after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5460-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.123
BindingDB Entry DOI: 10.7270/Q2ZC844K
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50418057
PNG
(CHEMBL1688945)
Show SMILES CCCCCc1cn(CCCc2cnc[nH]2)nn1
Show InChI InChI=1S/C13H21N5/c1-2-3-4-6-13-10-18(17-16-13)8-5-7-12-9-14-11-15-12/h9-11H,2-8H2,1H3,(H,14,15)
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67.6n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50418061
PNG
(CHEMBL1688971)
Show SMILES C(Cc1cnc[nH]1)Cn1cc(nn1)C1CCCCC1
Show InChI InChI=1S/C14H21N5/c1-2-5-12(6-3-1)14-10-19(18-17-14)8-4-7-13-9-15-11-16-13/h9-12H,1-8H2,(H,15,16)
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70.8n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50418068
PNG
(CHEMBL1688978)
Show SMILES CC(C1CCCCC1)c1cn(CCc2cnc[nH]2)nn1
Show InChI InChI=1S/C15H23N5/c1-12(13-5-3-2-4-6-13)15-10-20(19-18-15)8-7-14-9-16-11-17-14/h9-13H,2-8H2,1H3,(H,16,17)
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75.9n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50418059
PNG
(CHEMBL1688969)
Show SMILES C(Cn1cc(CC2CCCCC2)nn1)c1cnc[nH]1
Show InChI InChI=1S/C14H21N5/c1-2-4-12(5-3-1)8-14-10-19(18-17-14)7-6-13-9-15-11-16-13/h9-12H,1-8H2,(H,15,16)
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75.9n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM26395
PNG
(2,4-diamino-5,6-disubstituted pyrimidine, 9 | 6-(p...)
Show SMILES Nc1nc(N2CCNCC2)c2CCCc3ccccc3-c2n1
Show InChI InChI=1S/C17H21N5/c18-17-20-15-13-6-2-1-4-12(13)5-3-7-14(15)16(21-17)22-10-8-19-9-11-22/h1-2,4,6,19H,3,5,7-11H2,(H2,18,20,21)
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79.4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity to H4R receptor


Bioorg Med Chem Lett 21: 5460-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.123
BindingDB Entry DOI: 10.7270/Q2ZC844K
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM26226
PNG
((12S,17S)-6-(piperazin-1-yl)-11-oxa-3,5-diazatetra...)
Show SMILES [H][C@]12CCCC[C@@]1([H])C1=C(CCc3c(nc(N)nc13)N1CCNCC1)O2 |r,t:9|
Show InChI InChI=1S/C18H25N5O/c19-18-21-16-12(17(22-18)23-9-7-20-8-10-23)5-6-14-15(16)11-3-1-2-4-13(11)24-14/h11,13,20H,1-10H2,(H2,19,21,22)/t11-,13+/m1/s1
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79.4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity to H4R receptor


Bioorg Med Chem Lett 21: 5460-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.123
BindingDB Entry DOI: 10.7270/Q2ZC844K
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50418079
PNG
(CHEMBL1688986)
Show SMILES C(Cc1cn(CC2CCCCC2)nn1)Cc1cnc[nH]1
Show InChI InChI=1S/C15H23N5/c1-2-5-13(6-3-1)10-20-11-15(18-19-20)8-4-7-14-9-16-12-17-14/h9,11-13H,1-8,10H2,(H,16,17)
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79.4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50418052
PNG
(CHEMBL1688940)
Show SMILES C(Cc1cnc[nH]1)Cn1cc(Cc2ccccc2)nn1
Show InChI InChI=1S/C15H17N5/c1-2-5-13(6-3-1)9-15-11-20(19-18-15)8-4-7-14-10-16-12-17-14/h1-3,5-6,10-12H,4,7-9H2,(H,16,17)
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81.3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50418061
PNG
(CHEMBL1688971)
Show SMILES C(Cc1cnc[nH]1)Cn1cc(nn1)C1CCCCC1
Show InChI InChI=1S/C14H21N5/c1-2-5-12(6-3-1)14-10-19(18-17-14)8-4-7-13-9-15-11-16-13/h9-12H,1-8H2,(H,15,16)
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89.1n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50393248
PNG
(CHEMBL1258005)
Show SMILES Brc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:10.10,wD:17.20,TLB:18:17:13.12:15.16,THB:9:10:13.12:15.16,(-.69,-12.68,;-2.04,-13.43,;-2.06,-14.97,;-3.4,-15.72,;-4.72,-14.94,;-4.71,-13.4,;-3.37,-12.64,;-6.06,-15.69,;-6.08,-17.23,;-7.38,-14.9,;-8.73,-15.65,;-10.2,-15.01,;-11.56,-15.62,;-11.84,-17.01,;-10.46,-16.38,;-10.71,-14.48,;-10.27,-13.37,;-8.92,-17.03,;-8.16,-18.37,;-8.94,-19.7,;-10.48,-19.68,;-11.28,-21.01,;-10.51,-22.35,;-8.96,-22.36,;-8.18,-21.03,)|
Show InChI InChI=1S/C20H22BrN3O/c21-17-5-3-16(4-6-17)20(25)23-19-15-7-10-24(11-8-15)18(19)12-14-2-1-9-22-13-14/h1-6,9,13,15,18-19H,7-8,10-12H2,(H,23,25)/t18-,19+/m0/s1
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89.1n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system


J Med Chem 53: 7192-201 (2010)


Article DOI: 10.1021/jm100834y
BindingDB Entry DOI: 10.7270/Q21J9C1V
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50418066
PNG
(CHEMBL1688976)
Show SMILES C(Cc1cnc[nH]1)Cn1cc(CC2CCCC2)nn1
Show InChI InChI=1S/C14H21N5/c1-2-5-12(4-1)8-14-10-19(18-17-14)7-3-6-13-9-15-11-16-13/h9-12H,1-8H2,(H,15,16)
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91.2n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50418063
PNG
(CHEMBL1688973)
Show SMILES CCCCCCCc1cn(CCCc2cnc[nH]2)nn1
Show InChI InChI=1S/C15H25N5/c1-2-3-4-5-6-8-15-12-20(19-18-15)10-7-9-14-11-16-13-17-14/h11-13H,2-10H2,1H3,(H,16,17)
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97.7n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50418056
PNG
(CHEMBL1688944)
Show SMILES CC(C)(C)c1cn(CCCc2cnc[nH]2)nn1
Show InChI InChI=1S/C12H19N5/c1-12(2,3)11-8-17(16-15-11)6-4-5-10-7-13-9-14-10/h7-9H,4-6H2,1-3H3,(H,13,14)
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100n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50326297
PNG
(3-((1H-imidazol-4-yl)methyl)pyridine | 3-(3H-Imida...)
Show SMILES C(c1cnc[nH]1)c1cccnc1
Show InChI InChI=1S/C9H9N3/c1-2-8(5-10-3-1)4-9-6-11-7-12-9/h1-3,5-7H,4H2,(H,11,12)
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100n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4R receptor expressed in HEK293 cells at 10 uM after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5460-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.123
BindingDB Entry DOI: 10.7270/Q2ZC844K
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50418057
PNG
(CHEMBL1688945)
Show SMILES CCCCCc1cn(CCCc2cnc[nH]2)nn1
Show InChI InChI=1S/C13H21N5/c1-2-3-4-6-13-10-18(17-16-13)8-5-7-12-9-14-11-15-12/h9-11H,2-8H2,1H3,(H,14,15)
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105n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50417095
PNG
(CHEMBL1255909)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)Nc1ccccc1 |r,wU:3.2,THB:2:3:6.7:10.9,(7.58,-28.23,;7.6,-26.69,;6.27,-25.9,;4.93,-26.65,;4.74,-28.04,;3.2,-27.38,;1.83,-28.02,;2.11,-26.62,;3.46,-26.01,;3.39,-24.37,;2.94,-25.48,;8.94,-25.94,;10.27,-26.73,;10.24,-28.27,;11.57,-29.06,;12.92,-28.3,;12.93,-26.75,;11.61,-25.97,)|
Show InChI InChI=1S/C14H19N3O/c18-14(15-12-4-2-1-3-5-12)16-13-10-17-8-6-11(13)7-9-17/h1-5,11,13H,6-10H2,(H2,15,16,18)/t13-/m0/s1
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110n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells


J Med Chem 53: 7192-201 (2010)


Article DOI: 10.1021/jm100834y
BindingDB Entry DOI: 10.7270/Q21J9C1V
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50418065
PNG
(CHEMBL1688975)
Show SMILES C(Cc1cnc[nH]1)Cn1cc(CC2CCCCCC2)nn1
Show InChI InChI=1S/C16H25N5/c1-2-4-7-14(6-3-1)10-16-12-21(20-19-16)9-5-8-15-11-17-13-18-15/h11-14H,1-10H2,(H,17,18)
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112n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50418067
PNG
(CHEMBL1688977)
Show SMILES C(Cn1cc(CC2CCCC2)nn1)c1cnc[nH]1
Show InChI InChI=1S/C13H19N5/c1-2-4-11(3-1)7-13-9-18(17-16-13)6-5-12-8-14-10-15-12/h8-11H,1-7H2,(H,14,15)
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115n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50418073
PNG
(CHEMBL1688983)
Show SMILES C(CN1CCCCC1)Cn1cc(CN2CCCCC2)nn1
Show InChI InChI=1S/C16H29N5/c1-3-8-19(9-4-1)12-7-13-21-15-16(17-18-21)14-20-10-5-2-6-11-20/h15H,1-14H2
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120n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50418058
PNG
(CHEMBL1688946)
Show SMILES C(Cc1cnc[nH]1)Cn1cc(CC2CCCCC2)nn1
Show InChI InChI=1S/C15H23N5/c1-2-5-13(6-3-1)9-15-11-20(19-18-15)8-4-7-14-10-16-12-17-14/h10-13H,1-9H2,(H,16,17)
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126n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair
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