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Compile Data Set for Download or QSAR

Found 64 hits Enz. Inhib. hit(s) with all data for entry = 50018304   
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 receptor (H3)


(Homo sapiens (Human))
BDBM50194208
PNG
((1S,2R)-trans-2-[2-(4-chlorobenzylamino)ethyl]-1-(...)
Show SMILES Clc1ccc(CNCC[C@H]2C[C@@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine form human H3 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50194202
PNG
((1S,2R)-trans-2-[2-(cyclohexylmethylamino)ethyl]-1...)
Show SMILES C(C[C@H]1C[C@@H]1c1cnc[nH]1)NCC1CCCCC1
Show InChI InChI=1S/C15H25N3/c1-2-4-12(5-3-1)9-16-7-6-13-8-14(13)15-10-17-11-18-15/h10-14,16H,1-9H2,(H,17,18)/t13-,14-/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine form human H3 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50194205
PNG
((1R,2S)-trans-2-[2-(4-chlorobenzylamino)ethyl]-1-(...)
Show SMILES Clc1ccc(CNCC[C@@H]2C[C@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14-/m1/s1
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7.60n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine form human H4 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50194205
PNG
((1R,2S)-trans-2-[2-(4-chlorobenzylamino)ethyl]-1-(...)
Show SMILES Clc1ccc(CNCC[C@@H]2C[C@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14-/m1/s1
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8.40n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine form human H3 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50194203
PNG
((1R,2R)-cis-2-[2-(4-chlorobenzylamino)ethyl]-1-(1H...)
Show SMILES Clc1ccc(CNCC[C@H]2C[C@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14+/m0/s1
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13.9n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine form human H3 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50194211
PNG
((1S,2S)-cis-2-[2-(cyclohexylmethylamino)ethyl]-1-(...)
Show SMILES C(C[C@@H]1C[C@@H]1c1cnc[nH]1)NCC1CCCCC1
Show InChI InChI=1S/C15H25N3/c1-2-4-12(5-3-1)9-16-7-6-13-8-14(13)15-10-17-11-18-15/h10-14,16H,1-9H2,(H,17,18)/t13-,14+/m1/s1
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20.5n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine form human H3 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50194206
PNG
((1R,2S)-trans-2-[2-(cyclohexylmethylamino)ethyl]-1...)
Show SMILES C(C[C@@H]1C[C@H]1c1cnc[nH]1)NCC1CCCCC1
Show InChI InChI=1S/C15H25N3/c1-2-4-12(5-3-1)9-16-7-6-13-8-14(13)15-10-17-11-18-15/h10-14,16H,1-9H2,(H,17,18)/t13-,14-/m1/s1
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31.2n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine form human H4 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50194209
PNG
((1R,2R)-trans-2-(cyclohexylmethylamino)methyl-1-(1...)
Show SMILES C(NCC1CCCCC1)[C@@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C14H23N3/c1-2-4-11(5-3-1)7-15-8-12-6-13(12)14-9-16-10-17-14/h9-13,15H,1-8H2,(H,16,17)/t12-,13+/m0/s1
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34.4n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine form human H3 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50194206
PNG
((1R,2S)-trans-2-[2-(cyclohexylmethylamino)ethyl]-1...)
Show SMILES C(C[C@@H]1C[C@H]1c1cnc[nH]1)NCC1CCCCC1
Show InChI InChI=1S/C15H25N3/c1-2-4-12(5-3-1)9-16-7-6-13-8-14(13)15-10-17-11-18-15/h10-14,16H,1-9H2,(H,17,18)/t13-,14-/m1/s1
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35n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine form human H3 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50194208
PNG
((1S,2R)-trans-2-[2-(4-chlorobenzylamino)ethyl]-1-(...)
Show SMILES Clc1ccc(CNCC[C@H]2C[C@@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14-/m0/s1
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37.2n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine form human H4 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50194212
PNG
((1S,2S)-cis-2-[2-(4-chlorobenzylamino)ethyl]-1-(1H...)
Show SMILES Clc1ccc(CNCC[C@@H]2C[C@@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14+/m1/s1
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43.7n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine form human H3 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
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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51.1n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine form human H3 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50194204
PNG
((1S,2R)-cis-2-(4-chlorobenzylamino)methyl-1-(1H-im...)
Show SMILES Clc1ccc(CNC[C@@H]2C[C@@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C14H16ClN3/c15-12-3-1-10(2-4-12)6-16-7-11-5-13(11)14-8-17-9-18-14/h1-4,8-9,11,13,16H,5-7H2,(H,17,18)/t11-,13-/m0/s1
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88n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine form human H3 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50194216
PNG
((1S,2S)-trans-2-(cyclohexylmethylamino)methyl-1-(1...)
Show SMILES C(NCC1CCCCC1)[C@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C14H23N3/c1-2-4-11(5-3-1)7-15-8-12-6-13(12)14-9-16-10-17-14/h9-13,15H,1-8H2,(H,16,17)/t12-,13+/m1/s1
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90.4n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine form human H4 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50194203
PNG
((1R,2R)-cis-2-[2-(4-chlorobenzylamino)ethyl]-1-(1H...)
Show SMILES Clc1ccc(CNCC[C@H]2C[C@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14+/m0/s1
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103n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine form human H4 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50194210
PNG
((1S,2S)-trans-2-(4-chlorobenzylamino)methyl-1-(1H-...)
Show SMILES Clc1ccc(CNC[C@H]2C[C@@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C14H16ClN3/c15-12-3-1-10(2-4-12)6-16-7-11-5-13(11)14-8-17-9-18-14/h1-4,8-9,11,13,16H,5-7H2,(H,17,18)/t11-,13+/m1/s1
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115n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine form human H4 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50194207
PNG
((1R,2R)-trans-2-(4-chlorobenzylamino)methyl-1-(1H-...)
Show SMILES Clc1ccc(CNC[C@@H]2C[C@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C14H16ClN3/c15-12-3-1-10(2-4-12)6-16-7-11-5-13(11)14-8-17-9-18-14/h1-4,8-9,11,13,16H,5-7H2,(H,17,18)/t11-,13+/m0/s1
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118n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine form human H4 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
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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124n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine form human H4 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50194202
PNG
((1S,2R)-trans-2-[2-(cyclohexylmethylamino)ethyl]-1...)
Show SMILES C(C[C@H]1C[C@@H]1c1cnc[nH]1)NCC1CCCCC1
Show InChI InChI=1S/C15H25N3/c1-2-4-12(5-3-1)9-16-7-6-13-8-14(13)15-10-17-11-18-15/h10-14,16H,1-9H2,(H,17,18)/t13-,14-/m0/s1
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127n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine form human H4 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50194212
PNG
((1S,2S)-cis-2-[2-(4-chlorobenzylamino)ethyl]-1-(1H...)
Show SMILES Clc1ccc(CNCC[C@@H]2C[C@@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14+/m1/s1
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130n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine form human H4 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50194209
PNG
((1R,2R)-trans-2-(cyclohexylmethylamino)methyl-1-(1...)
Show SMILES C(NCC1CCCCC1)[C@@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C14H23N3/c1-2-4-11(5-3-1)7-15-8-12-6-13(12)14-9-16-10-17-14/h9-13,15H,1-8H2,(H,16,17)/t12-,13+/m0/s1
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143n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine form human H4 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50194211
PNG
((1S,2S)-cis-2-[2-(cyclohexylmethylamino)ethyl]-1-(...)
Show SMILES C(C[C@@H]1C[C@@H]1c1cnc[nH]1)NCC1CCCCC1
Show InChI InChI=1S/C15H25N3/c1-2-4-12(5-3-1)9-16-7-6-13-8-14(13)15-10-17-11-18-15/h10-14,16H,1-9H2,(H,17,18)/t13-,14+/m1/s1
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177n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine form human H4 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50194210
PNG
((1S,2S)-trans-2-(4-chlorobenzylamino)methyl-1-(1H-...)
Show SMILES Clc1ccc(CNC[C@H]2C[C@@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C14H16ClN3/c15-12-3-1-10(2-4-12)6-16-7-11-5-13(11)14-8-17-9-18-14/h1-4,8-9,11,13,16H,5-7H2,(H,17,18)/t11-,13+/m1/s1
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203n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine form human H3 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50194216
PNG
((1S,2S)-trans-2-(cyclohexylmethylamino)methyl-1-(1...)
Show SMILES C(NCC1CCCCC1)[C@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C14H23N3/c1-2-4-11(5-3-1)7-15-8-12-6-13(12)14-9-16-10-17-14/h9-13,15H,1-8H2,(H,16,17)/t12-,13+/m1/s1
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289n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine form human H3 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50194215
PNG
((1R,2S)-cis-2-(4-chlorobenzylamino)methyl-1-(1H-im...)
Show SMILES Clc1ccc(CNC[C@H]2C[C@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C14H16ClN3/c15-12-3-1-10(2-4-12)6-16-7-11-5-13(11)14-8-17-9-18-14/h1-4,8-9,11,13,16H,5-7H2,(H,17,18)/t11-,13-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine form human H3 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50194217
PNG
((1S,2R)-cis-2-(cyclohexylmethylamino)methyl-1-(1H-...)
Show SMILES C(NCC1CCCCC1)[C@@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C14H23N3/c1-2-4-11(5-3-1)7-15-8-12-6-13(12)14-9-16-10-17-14/h9-13,15H,1-8H2,(H,16,17)/t12-,13-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine form human H4 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50194214
PNG
((1R,2S)-cis-2-(cyclohexylmethylamino)methyl-1-(1H-...)
Show SMILES C(NCC1CCCCC1)[C@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C14H23N3/c1-2-4-11(5-3-1)7-15-8-12-6-13(12)14-9-16-10-17-14/h9-13,15H,1-8H2,(H,16,17)/t12-,13-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine form human H3 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50194207
PNG
((1R,2R)-trans-2-(4-chlorobenzylamino)methyl-1-(1H-...)
Show SMILES Clc1ccc(CNC[C@@H]2C[C@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C14H16ClN3/c15-12-3-1-10(2-4-12)6-16-7-11-5-13(11)14-8-17-9-18-14/h1-4,8-9,11,13,16H,5-7H2,(H,17,18)/t11-,13+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine form human H3 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50194213
PNG
((1R,2R)-cis-2-[2-(cyclohexylmethylamino)ethyl]-1-(...)
Show SMILES C(C[C@H]1C[C@H]1c1cnc[nH]1)NCC1CCCCC1
Show InChI InChI=1S/C15H25N3/c1-2-4-12(5-3-1)9-16-7-6-13-8-14(13)15-10-17-11-18-15/h10-14,16H,1-9H2,(H,17,18)/t13-,14+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine form human H4 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50194215
PNG
((1R,2S)-cis-2-(4-chlorobenzylamino)methyl-1-(1H-im...)
Show SMILES Clc1ccc(CNC[C@H]2C[C@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C14H16ClN3/c15-12-3-1-10(2-4-12)6-16-7-11-5-13(11)14-8-17-9-18-14/h1-4,8-9,11,13,16H,5-7H2,(H,17,18)/t11-,13-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine form human H4 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50194213
PNG
((1R,2R)-cis-2-[2-(cyclohexylmethylamino)ethyl]-1-(...)
Show SMILES C(C[C@H]1C[C@H]1c1cnc[nH]1)NCC1CCCCC1
Show InChI InChI=1S/C15H25N3/c1-2-4-12(5-3-1)9-16-7-6-13-8-14(13)15-10-17-11-18-15/h10-14,16H,1-9H2,(H,17,18)/t13-,14+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine form human H3 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50194214
PNG
((1R,2S)-cis-2-(cyclohexylmethylamino)methyl-1-(1H-...)
Show SMILES C(NCC1CCCCC1)[C@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C14H23N3/c1-2-4-11(5-3-1)7-15-8-12-6-13(12)14-9-16-10-17-14/h9-13,15H,1-8H2,(H,16,17)/t12-,13-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine form human H4 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50194204
PNG
((1S,2R)-cis-2-(4-chlorobenzylamino)methyl-1-(1H-im...)
Show SMILES Clc1ccc(CNC[C@@H]2C[C@@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C14H16ClN3/c15-12-3-1-10(2-4-12)6-16-7-11-5-13(11)14-8-17-9-18-14/h1-4,8-9,11,13,16H,5-7H2,(H,17,18)/t11-,13-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine form human H4 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50194217
PNG
((1S,2R)-cis-2-(cyclohexylmethylamino)methyl-1-(1H-...)
Show SMILES C(NCC1CCCCC1)[C@@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C14H23N3/c1-2-4-11(5-3-1)7-15-8-12-6-13(12)14-9-16-10-17-14/h9-13,15H,1-8H2,(H,16,17)/t12-,13-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine form human H3 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50194208
PNG
((1S,2R)-trans-2-[2-(4-chlorobenzylamino)ethyl]-1-(...)
Show SMILES Clc1ccc(CNCC[C@H]2C[C@@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14-/m0/s1
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n/an/a 8.5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Antagonist activity at human H3 receptor expressed in 293-EBNA cells assessed as inhibition of histamine agonist activity by luciferase reporter gene...


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
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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n/an/a 16n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Antagonist activity at human H3 receptor expressed in 293-EBNA cells assessed as inhibition of histamine agonist activity by luciferase reporter gene...


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50194205
PNG
((1R,2S)-trans-2-[2-(4-chlorobenzylamino)ethyl]-1-(...)
Show SMILES Clc1ccc(CNCC[C@@H]2C[C@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Antagonist activity at human H3 receptor expressed in 293-EBNA cells assessed as inhibition of histamine agonist activity by luciferase reporter gene...


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50194202
PNG
((1S,2R)-trans-2-[2-(cyclohexylmethylamino)ethyl]-1...)
Show SMILES C(C[C@H]1C[C@@H]1c1cnc[nH]1)NCC1CCCCC1
Show InChI InChI=1S/C15H25N3/c1-2-4-12(5-3-1)9-16-7-6-13-8-14(13)15-10-17-11-18-15/h10-14,16H,1-9H2,(H,17,18)/t13-,14-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Antagonist activity at human H3 receptor expressed in 293-EBNA cells assessed as inhibition of histamine agonist activity by luciferase reporter gene...


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50194205
PNG
((1R,2S)-trans-2-[2-(4-chlorobenzylamino)ethyl]-1-(...)
Show SMILES Clc1ccc(CNCC[C@@H]2C[C@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Antagonist activity at human H4 receptor expressed in 293-EBNA cells assessed as inhibition of histamine agonist activity by luciferase reporter gene...


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
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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n/an/a 680n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Antagonist activity at human H4 receptor expressed in 293-EBNA cells assessed as inhibition of histamine agonist activity by luciferase reporter gene...


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50194208
PNG
((1S,2R)-trans-2-[2-(4-chlorobenzylamino)ethyl]-1-(...)
Show SMILES Clc1ccc(CNCC[C@H]2C[C@@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14-/m0/s1
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n/an/a 860n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Antagonist activity at human H4 receptor expressed in 293-EBNA cells assessed as inhibition of histamine agonist activity by luciferase reporter gene...


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50194202
PNG
((1S,2R)-trans-2-[2-(cyclohexylmethylamino)ethyl]-1...)
Show SMILES C(C[C@H]1C[C@@H]1c1cnc[nH]1)NCC1CCCCC1
Show InChI InChI=1S/C15H25N3/c1-2-4-12(5-3-1)9-16-7-6-13-8-14(13)15-10-17-11-18-15/h10-14,16H,1-9H2,(H,17,18)/t13-,14-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Antagonist activity at human H4 receptor expressed in 293-EBNA cells assessed as inhibition of histamine agonist activity by luciferase reporter gene...


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50194205
PNG
((1R,2S)-trans-2-[2-(4-chlorobenzylamino)ethyl]-1-(...)
Show SMILES Clc1ccc(CNCC[C@@H]2C[C@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14-/m1/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Antagonist activity at human H1 receptor expressed in 293-EBNA cells assessed as inhibition of histamine agonist activity by luciferase reporter gene...


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50194208
PNG
((1S,2R)-trans-2-[2-(4-chlorobenzylamino)ethyl]-1-(...)
Show SMILES Clc1ccc(CNCC[C@H]2C[C@@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14-/m0/s1
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n/an/a 8.50E+3n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Antagonist activity at human H1 receptor expressed in 293-EBNA cells assessed as inhibition of histamine agonist activity by luciferase reporter gene...


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50194208
PNG
((1S,2R)-trans-2-[2-(4-chlorobenzylamino)ethyl]-1-(...)
Show SMILES Clc1ccc(CNCC[C@H]2C[C@@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Antagonist activity at human H2 receptor expressed in 293-EBNA cells assessed as inhibition of histamine agonist activity by luciferase reporter gene...


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50194202
PNG
((1S,2R)-trans-2-[2-(cyclohexylmethylamino)ethyl]-1...)
Show SMILES C(C[C@H]1C[C@@H]1c1cnc[nH]1)NCC1CCCCC1
Show InChI InChI=1S/C15H25N3/c1-2-4-12(5-3-1)9-16-7-6-13-8-14(13)15-10-17-11-18-15/h10-14,16H,1-9H2,(H,17,18)/t13-,14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Antagonist activity at human H2 receptor expressed in 293-EBNA cells assessed as inhibition of histamine agonist activity by luciferase reporter gene...


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50194205
PNG
((1R,2S)-trans-2-[2-(4-chlorobenzylamino)ethyl]-1-(...)
Show SMILES Clc1ccc(CNCC[C@@H]2C[C@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Antagonist activity at human H2 receptor expressed in 293-EBNA cells assessed as inhibition of histamine agonist activity by luciferase reporter gene...


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50194202
PNG
((1S,2R)-trans-2-[2-(cyclohexylmethylamino)ethyl]-1...)
Show SMILES C(C[C@H]1C[C@@H]1c1cnc[nH]1)NCC1CCCCC1
Show InChI InChI=1S/C15H25N3/c1-2-4-12(5-3-1)9-16-7-6-13-8-14(13)15-10-17-11-18-15/h10-14,16H,1-9H2,(H,17,18)/t13-,14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Antagonist activity at human H1 receptor expressed in 293-EBNA cells assessed as inhibition of histamine agonist activity by luciferase reporter gene...


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H1 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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n/an/an/an/a 45n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Agonist activity at human H1 receptor expressed in 293-EBNA cells by luciferase reporter gene assay


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50194202
PNG
((1S,2R)-trans-2-[2-(cyclohexylmethylamino)ethyl]-1...)
Show SMILES C(C[C@H]1C[C@@H]1c1cnc[nH]1)NCC1CCCCC1
Show InChI InChI=1S/C15H25N3/c1-2-4-12(5-3-1)9-16-7-6-13-8-14(13)15-10-17-11-18-15/h10-14,16H,1-9H2,(H,17,18)/t13-,14-/m0/s1
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UniChem
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n/an/an/an/a>1.00E+4n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Agonist activity at human H1 receptor expressed in 293-EBNA cells by luciferase reporter gene assay


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
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