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Compile Data Set for Download or QSAR

Found 196 hits from Boehringer Ingelheim RCV GmbH& Co KG   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387437
PNG
(CHEMBL2047450)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)cc(N)c2[nH]1
Show InChI InChI=1S/C14H17ClN4O/c1-18-2-4-19(5-3-18)14(20)12-7-9-6-10(15)8-11(16)13(9)17-12/h6-8,17H,2-5,16H2,1H3
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5.01n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387436
PNG
(CHEMBL2047449)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)cc(C)c2[nH]1
Show InChI InChI=1S/C15H18ClN3O/c1-10-7-12(16)8-11-9-13(17-14(10)11)15(20)19-5-3-18(2)4-6-19/h7-9,17H,3-6H2,1-2H3
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6.31n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387435
PNG
(CHEMBL2047448)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)cc(F)c2[nH]1
Show InChI InChI=1S/C14H15ClFN3O/c1-18-2-4-19(5-3-18)14(20)12-7-9-6-10(15)8-11(16)13(9)17-12/h6-8,17H,2-5H2,1H3
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6.31n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM22566
PNG
(5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
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6.31n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387434
PNG
(CHEMBL2047447)
Show SMILES CN1CCN(CC1)C(=O)c1cc2c(F)c(Cl)ccc2[nH]1
Show InChI InChI=1S/C14H15ClFN3O/c1-18-4-6-19(7-5-18)14(20)12-8-9-11(17-12)3-2-10(15)13(9)16/h2-3,8,17H,4-7H2,1H3
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6.31n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50133018
PNG
((4,5-Dichloro-1H-indol-2-yl)-(4-methyl-piperazin-1...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1
Show InChI InChI=1S/C14H15Cl2N3O/c1-18-4-6-19(7-5-18)14(20)12-8-9-11(17-12)3-2-10(15)13(9)16/h2-3,8,17H,4-7H2,1H3
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6.31n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387449
PNG
(CHEMBL2047466)
Show SMILES Clc1ccc2[nH]c(cc2c1)C(=O)N1CC(C1)N1CCCC1
Show InChI InChI=1S/C16H18ClN3O/c17-12-3-4-14-11(7-12)8-15(18-14)16(21)20-9-13(10-20)19-5-1-2-6-19/h3-4,7-8,13,18H,1-2,5-6,9-10H2
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10n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50132999
PNG
((7-Methyl-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cccc(C)c2[nH]1
Show InChI InChI=1S/C15H19N3O/c1-11-4-3-5-12-10-13(16-14(11)12)15(19)18-8-6-17(2)7-9-18/h3-5,10,16H,6-9H2,1-2H3
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12.6n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387438
PNG
(CHEMBL2047451)
Show SMILES Cc1cc(Cl)cc2cc([nH]c12)C(=O)N1CCNCC1
Show InChI InChI=1S/C14H16ClN3O/c1-9-6-11(15)7-10-8-12(17-13(9)10)14(19)18-4-2-16-3-5-18/h6-8,16-17H,2-5H2,1H3
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12.6n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM26391
PNG
(5-chloro-2-(piperazin-1-ylcarbonyl)-1H-indole | JN...)
Show SMILES Clc1ccc2[nH]c(cc2c1)C(=O)N1CCNCC1
Show InChI InChI=1S/C13H14ClN3O/c14-10-1-2-11-9(7-10)8-12(16-11)13(18)17-5-3-15-4-6-17/h1-2,7-8,15-16H,3-6H2
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12.6n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50133004
PNG
((7-Amino-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)-...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cccc(N)c2[nH]1
Show InChI InChI=1S/C14H18N4O/c1-17-5-7-18(8-6-17)14(19)12-9-10-3-2-4-11(15)13(10)16-12/h2-4,9,16H,5-8,15H2,1H3
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15.8n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50132996
PNG
((5-Fluoro-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C14H16FN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
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15.8n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387452
PNG
(CHEMBL2047470)
Show SMILES Fc1cc(Cl)cc2cc([nH]c12)C(=O)N1CC(C1)N1CCCC1
Show InChI InChI=1S/C16H17ClFN3O/c17-11-5-10-6-14(19-15(10)13(18)7-11)16(22)21-8-12(9-21)20-3-1-2-4-20/h5-7,12,19H,1-4,8-9H2
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15.8n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50133016
PNG
((7-Chloro-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cccc(Cl)c2[nH]1
Show InChI InChI=1S/C14H16ClN3O/c1-17-5-7-18(8-6-17)14(19)12-9-10-3-2-4-11(15)13(10)16-12/h2-4,9,16H,5-8H2,1H3
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19.9n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387467
PNG
(CHEMBL2047473)
Show SMILES Fc1cc(Cl)cc2cc([nH]c12)C(=O)N1CCNCC1
Show InChI InChI=1S/C13H13ClFN3O/c14-9-5-8-6-11(17-12(8)10(15)7-9)13(19)18-3-1-16-2-4-18/h5-7,16-17H,1-4H2
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19.9n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387427
PNG
(CHEMBL2047276)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cccc(F)c2[nH]1
Show InChI InChI=1S/C14H16FN3O/c1-17-5-7-18(8-6-17)14(19)12-9-10-3-2-4-11(15)13(10)16-12/h2-4,9,16H,5-8H2,1H3
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19.9n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50133020
PNG
((1H-Indol-2-yl)-(4-methyl-piperazin-1-yl)-methanon...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C14H17N3O/c1-16-6-8-17(9-7-16)14(18)13-10-11-4-2-3-5-12(11)15-13/h2-5,10,15H,6-9H2,1H3
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25.1n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387424
PNG
(CHEMBL2047273)
Show SMILES CN1CCN(CC1)C(=O)c1cc2ccc(O)cc2[nH]1
Show InChI InChI=1S/C14H17N3O2/c1-16-4-6-17(7-5-16)14(19)13-8-10-2-3-11(18)9-12(10)15-13/h2-3,8-9,15,18H,4-7H2,1H3
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25.1n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50133007
PNG
((5-Hydroxy-1H-indol-2-yl)-(4-methyl-piperazin-1-yl...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(O)ccc2[nH]1
Show InChI InChI=1S/C14H17N3O2/c1-16-4-6-17(7-5-16)14(19)13-9-10-8-11(18)2-3-12(10)15-13/h2-3,8-9,15,18H,4-7H2,1H3
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25.1n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50133001
PNG
((5-Amino-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)-...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(N)ccc2[nH]1
Show InChI InChI=1S/C14H18N4O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7,15H2,1H3
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31.6n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387459
PNG
(CHEMBL2047263)
Show SMILES CN1CCN(CC1)C(=O)c1cc2c(F)cccc2[nH]1
Show InChI InChI=1S/C14H16FN3O/c1-17-5-7-18(8-6-17)14(19)13-9-10-11(15)3-2-4-12(10)16-13/h2-4,9,16H,5-8H2,1H3
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31.6n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387469
PNG
(CHEMBL2047264)
Show SMILES CN1CCN(CC1)C(=O)c1cc2c(Cl)cccc2[nH]1
Show InChI InChI=1S/C14H16ClN3O/c1-17-5-7-18(8-6-17)14(19)13-9-10-11(15)3-2-4-12(10)16-13/h2-4,9,16H,5-8H2,1H3
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31.6n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387464
PNG
(CHEMBL2047454)
Show SMILES Cc1cc(Cl)cc2cc([nH]c12)C(=O)N1CC(C1)N1CCCC1
Show InChI InChI=1S/C17H20ClN3O/c1-11-6-13(18)7-12-8-15(19-16(11)12)17(22)21-9-14(10-21)20-4-2-3-5-20/h6-8,14,19H,2-5,9-10H2,1H3
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31.6n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387451
PNG
(CHEMBL2047469)
Show SMILES CN1CCCN(CC1)C(=O)c1cc2c(F)c(Cl)ccc2[nH]1
Show InChI InChI=1S/C15H17ClFN3O/c1-19-5-2-6-20(8-7-19)15(21)13-9-10-12(18-13)4-3-11(16)14(10)17/h3-4,9,18H,2,5-8H2,1H3
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31.6n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387440
PNG
(CHEMBL2047455)
Show SMILES CN1CCCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C15H18ClN3O/c1-18-5-2-6-19(8-7-18)15(20)14-10-11-9-12(16)3-4-13(11)17-14/h3-4,9-10,17H,2,5-8H2,1H3
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39.8n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387446
PNG
(CHEMBL2047462)
Show SMILES Fc1cccc2cc([nH]c12)C(=O)N1CC(C1)N1CCCC1
Show InChI InChI=1S/C16H18FN3O/c17-13-5-3-4-11-8-14(18-15(11)13)16(21)20-9-12(10-20)19-6-1-2-7-19/h3-5,8,12,18H,1-2,6-7,9-10H2
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39.8n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387455
PNG
(CHEMBL2047475)
Show SMILES CN1CCN(CC1)C(=O)c1cc2c(F)ccc(C)c2[nH]1
Show InChI InChI=1S/C15H18FN3O/c1-10-3-4-12(16)11-9-13(17-14(10)11)15(20)19-7-5-18(2)6-8-19/h3-4,9,17H,5-8H2,1-2H3
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39.8n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387471
PNG
(CHEMBL2047443)
Show SMILES Cc1cccc2cc([nH]c12)C(=O)N1CCNCC1
Show InChI InChI=1S/C14H17N3O/c1-10-3-2-4-11-9-12(16-13(10)11)14(18)17-7-5-15-6-8-17/h2-4,9,15-16H,5-8H2,1H3
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39.8n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50133017
PNG
((5-methyl-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(C)ccc2[nH]1
Show InChI InChI=1S/C15H19N3O/c1-11-3-4-13-12(9-11)10-14(16-13)15(19)18-7-5-17(2)6-8-18/h3-4,9-10,16H,5-8H2,1-2H3
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50.1n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387450
PNG
(CHEMBL2047467)
Show SMILES Clc1ccc2[nH]c(cc2c1)C(=O)N1CCCNCC1
Show InChI InChI=1S/C14H16ClN3O/c15-11-2-3-12-10(8-11)9-13(17-12)14(19)18-6-1-4-16-5-7-18/h2-3,8-9,16-17H,1,4-7H2
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63.1n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387475
PNG
(CHEMBL2047468)
Show SMILES CN1CCCN(CC1)C(=O)c1cc2cc(Cl)cc(F)c2[nH]1
Show InChI InChI=1S/C15H17ClFN3O/c1-19-3-2-4-20(6-5-19)15(21)13-8-10-7-11(16)9-12(17)14(10)18-13/h7-9,18H,2-6H2,1H3
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63.1n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387426
PNG
(CHEMBL2047275)
Show SMILES CN1CCN(CC1)C(=O)c1cc2ccc(N)cc2[nH]1
Show InChI InChI=1S/C14H18N4O/c1-17-4-6-18(7-5-17)14(19)13-8-10-2-3-11(15)9-12(10)16-13/h2-3,8-9,16H,4-7,15H2,1H3
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79.4n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387433
PNG
(CHEMBL2047446)
Show SMILES Cc1cccc2cc([nH]c12)C(=O)N1CC(C1)N1CCCC1
Show InChI InChI=1S/C17H21N3O/c1-12-5-4-6-13-9-15(18-16(12)13)17(21)20-10-14(11-20)19-7-2-3-8-19/h4-6,9,14,18H,2-3,7-8,10-11H2,1H3
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79.4n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387476
PNG
(CHEMBL2047476)
Show SMILES CN1CCN(CC1)C(=O)c1cc2c(F)ccc(F)c2[nH]1
Show InChI InChI=1S/C14H15F2N3O/c1-18-4-6-19(7-5-18)14(20)12-8-9-10(15)2-3-11(16)13(9)17-12/h2-3,8,17H,4-7H2,1H3
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79.4n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387421
PNG
(CHEMBL2047270)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C14H16N4O3/c1-16-4-6-17(7-5-16)14(19)13-9-10-8-11(18(20)21)2-3-12(10)15-13/h2-3,8-9,15H,4-7H2,1H3
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79.4n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387474
PNG
(CHEMBL2047463)
Show SMILES Fc1cccc2cc([nH]c12)C(=O)N1CCNCC1
Show InChI InChI=1S/C13H14FN3O/c14-10-3-1-2-9-8-11(16-12(9)10)13(18)17-6-4-15-5-7-17/h1-3,8,15-16H,4-7H2
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100n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387453
PNG
(CHEMBL2047471)
Show SMILES CNC1CN(C1)C(=O)c1cc2cc(Cl)cc(F)c2[nH]1
Show InChI InChI=1S/C13H13ClFN3O/c1-16-9-5-18(6-9)13(19)11-3-7-2-8(14)4-10(15)12(7)17-11/h2-4,9,16-17H,5-6H2,1H3
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100n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387461
PNG
(CHEMBL2047266)
Show SMILES CN1CCN(CC1)C(=O)c1cc2c(O)cccc2[nH]1
Show InChI InChI=1S/C14H17N3O2/c1-16-5-7-17(8-6-16)14(19)12-9-10-11(15-12)3-2-4-13(10)18/h2-4,9,15,18H,5-8H2,1H3
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158n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387423
PNG
(CHEMBL2047272)
Show SMILES CN1CCN(CC1)C(=O)c1cc2ccc(Cl)cc2[nH]1
Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-8-10-2-3-11(15)9-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
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158n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387439
PNG
(CHEMBL2047453)
Show SMILES CNC1CN(C1)C(=O)c1cc2cc(Cl)cc(C)c2[nH]1
Show InChI InChI=1S/C14H16ClN3O/c1-8-3-10(15)4-9-5-12(17-13(8)9)14(19)18-6-11(7-18)16-2/h3-5,11,16-17H,6-7H2,1-2H3
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200n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387465
PNG
(CHEMBL2047472)
Show SMILES CN[C@@H]1CCN(C1)C(=O)c1cc2cc(Cl)cc(F)c2[nH]1
Show InChI InChI=1S/C14H15ClFN3O/c1-17-10-2-3-19(7-10)14(20)12-5-8-4-9(15)6-11(16)13(8)18-12/h4-6,10,17-18H,2-3,7H2,1H3/t10-/m1/s1
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251n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387466
PNG
(CHEMBL2047259)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2o1
Show InChI InChI=1S/C14H15ClN2O2/c1-16-4-6-17(7-5-16)14(18)13-9-10-8-11(15)2-3-12(10)19-13/h2-3,8-9H,4-7H2,1H3
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251n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387473
PNG
(CHEMBL2047458)
Show SMILES CN1CCCN(CC1)C(=O)c1cc2c(F)cccc2[nH]1
Show InChI InChI=1S/C15H18FN3O/c1-18-6-3-7-19(9-8-18)15(20)14-10-11-12(16)4-2-5-13(11)17-14/h2,4-5,10,17H,3,6-9H2,1H3
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251n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387472
PNG
(CHEMBL2047452)
Show SMILES CN[C@@H]1CCN(C1)C(=O)c1cc2cc(Cl)cc(C)c2[nH]1
Show InChI InChI=1S/C15H18ClN3O/c1-9-5-11(16)6-10-7-13(18-14(9)10)15(20)19-4-3-12(8-19)17-2/h5-7,12,17-18H,3-4,8H2,1-2H3/t12-/m1/s1
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251n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387463
PNG
(CHEMBL2047268)
Show SMILES CN1CCN(CC1)C(=O)c1cc2c(N)cccc2[nH]1
Show InChI InChI=1S/C14H18N4O/c1-17-5-7-18(8-6-17)14(19)13-9-10-11(15)3-2-4-12(10)16-13/h2-4,9,16H,5-8,15H2,1H3
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316n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387432
PNG
(CHEMBL2047445)
Show SMILES CNC1CN(C1)C(=O)c1cc2cccc(C)c2[nH]1
Show InChI InChI=1S/C14H17N3O/c1-9-4-3-5-10-6-12(16-13(9)10)14(18)17-7-11(8-17)15-2/h3-6,11,15-16H,7-8H2,1-2H3
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398n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387441
PNG
(CHEMBL2047456)
Show SMILES CN1CCCN(CC1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C15H19N3O/c1-17-7-4-8-18(10-9-17)15(19)14-11-12-5-2-3-6-13(12)16-14/h2-3,5-6,11,16H,4,7-10H2,1H3
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398n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387454
PNG
(CHEMBL2047474)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)cc([N+]([O-])=O)c2[nH]1
Show InChI InChI=1S/C14H15ClN4O3/c1-17-2-4-18(5-3-17)14(20)11-7-9-6-10(15)8-12(19(21)22)13(9)16-11/h6-8,16H,2-5H2,1H3
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398n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387448
PNG
(CHEMBL2047465)
Show SMILES CNC1CN(C1)C(=O)c1cc2cccc(F)c2[nH]1
Show InChI InChI=1S/C13H14FN3O/c1-15-9-6-17(7-9)13(18)11-5-8-3-2-4-10(14)12(8)16-11/h2-5,9,15-16H,6-7H2,1H3
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398n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50387444
PNG
(CHEMBL2047460)
Show SMILES CN1CCCN(CC1)C(=O)c1cc2cccc(F)c2[nH]1
Show InChI InChI=1S/C15H18FN3O/c1-18-6-3-7-19(9-8-18)15(20)13-10-11-4-2-5-12(16)14(11)17-13/h2,4-5,10,17H,3,6-9H2,1H3
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398n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
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