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Compile Data Set for Download or QSAR

Found 34 hits with Last Name = 'fernandes' and Initial = 'gab'   
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))
BDBM50121205
PNG
(CHEBI:18295 | Histamine)
Show SMILES NCCc1c[nH]cn1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
PDB

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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 4 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50121205
PNG
(CHEBI:18295 | Histamine)
Show SMILES NCCc1c[nH]cn1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
PDB

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2.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 3 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50552436
PNG
(CHEMBL4749654)
Show SMILES C=CCN1CCN(CC2Cc3cc(ccc3O2)-c2ccccc2)CC1
PDB

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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 3 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50552434
PNG
(CHEMBL4747180)
Show SMILES COc1ccc2OC(CN3CCN(CC=C)CC3)Cc2c1
PDB

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6.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 3 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50552435
PNG
(CHEMBL4756432)
Show SMILES CC(C)(C)c1ccc2OC(CN3CCN(CC=C)CC3)Cc2c1
PDB

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16n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 3 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50552430
PNG
(CHEMBL4798369)
Show SMILES CN1CCN(CC2Cc3cc(ccc3O2)-c2ccccc2)CC1
PDB

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40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 3 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50552439
PNG
(CHEMBL4568949)
Show SMILES CN1CCN(CC1)C(=O)c1cc2ccccc2o1
PDB

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79n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 4 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50552441
PNG
(CHEMBL4747747)
Show SMILES C=CCN1CCN(CC2Cc3ccccc3O2)CC1
PDB

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398n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 3 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50552429
PNG
(CHEMBL4752345)
Show SMILES C(C1Cc2cc(ccc2O1)-c1ccccc1)N1CCNCC1
PDB

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631n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 3 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50552442
PNG
(CHEMBL4792753)
Show SMILES CN1CCN(CC2Cc3cc(Cl)ccc3O2)CC1
PDB

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794n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 3 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50552443
PNG
(CHEMBL4758983)
Show SMILES COc1ccc2OC(CN3CCN(C)CC3)Cc2c1
PDB

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794n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 3 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50552444
PNG
(CHEMBL4764535)
Show SMILES CN1CCN(CC2Cc3cc(ccc3O2)C(C)(C)C)CC1
PDB

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794n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 3 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50552442
PNG
(CHEMBL4792753)
Show SMILES CN1CCN(CC2Cc3cc(Cl)ccc3O2)CC1
PDB

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794n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 4 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50552431
PNG
(CHEMBL4750456)
Show SMILES C(C1Cc2cc(ccc2O1)-c1ccccc1)N1CCN(CC1)c1ccccc1
PDB

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<1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 3 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50552432
PNG
(CHEMBL4762254)
Show SMILES CC(C)(C)c1ccc2OC(CN3CCN(CC3)c3ccccc3)Cc2c1
PDB

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<1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 3 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50552433
PNG
(CHEMBL4753344)
Show SMILES C(C1Cc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
PDB

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<1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 3 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50552437
PNG
(CHEMBL4745175)
Show SMILES CN1CCN(Cc2cc3ccccc3o2)CC1
PDB

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<1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 3 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50552438
PNG
(CHEMBL4778595)
Show SMILES CN1CCN(Cc2ccc3OCCc3c2)CC1
PDB

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<1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 3 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50552439
PNG
(CHEMBL4568949)
Show SMILES CN1CCN(CC1)C(=O)c1cc2ccccc2o1
PDB

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<1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 3 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50552440
PNG
(CHEMBL4746519)
Show SMILES O=C(N1CCN(CC1)c1ccccc1)c1cc2ccccc2o1
PDB

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<1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 3 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50552444
PNG
(CHEMBL4764535)
Show SMILES CN1CCN(CC2Cc3cc(ccc3O2)C(C)(C)C)CC1
PDB

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<1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 4 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50552443
PNG
(CHEMBL4758983)
Show SMILES COc1ccc2OC(CN3CCN(C)CC3)Cc2c1
PDB

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<1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 4 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50552441
PNG
(CHEMBL4747747)
Show SMILES C=CCN1CCN(CC2Cc3ccccc3O2)CC1
PDB

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<1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 4 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50552440
PNG
(CHEMBL4746519)
Show SMILES O=C(N1CCN(CC1)c1ccccc1)c1cc2ccccc2o1
PDB

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<1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 4 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50552438
PNG
(CHEMBL4778595)
Show SMILES CN1CCN(Cc2ccc3OCCc3c2)CC1
PDB

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<1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 4 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50552437
PNG
(CHEMBL4745175)
Show SMILES CN1CCN(Cc2cc3ccccc3o2)CC1
PDB

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<1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 4 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50552436
PNG
(CHEMBL4749654)
Show SMILES C=CCN1CCN(CC2Cc3cc(ccc3O2)-c2ccccc2)CC1
PDB

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<1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 4 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50552435
PNG
(CHEMBL4756432)
Show SMILES CC(C)(C)c1ccc2OC(CN3CCN(CC=C)CC3)Cc2c1
PDB

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<1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 4 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50552434
PNG
(CHEMBL4747180)
Show SMILES COc1ccc2OC(CN3CCN(CC=C)CC3)Cc2c1
PDB

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<1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 4 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50552433
PNG
(CHEMBL4753344)
Show SMILES C(C1Cc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
PDB

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<1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 4 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50552432
PNG
(CHEMBL4762254)
Show SMILES CC(C)(C)c1ccc2OC(CN3CCN(CC3)c3ccccc3)Cc2c1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
<1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 4 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50552431
PNG
(CHEMBL4750456)
Show SMILES C(C1Cc2cc(ccc2O1)-c1ccccc1)N1CCN(CC1)c1ccccc1
PDB

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UniChem
Article
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<1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 4 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50552429
PNG
(CHEMBL4752345)
Show SMILES C(C1Cc2cc(ccc2O1)-c1ccccc1)N1CCNCC1
PDB

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UniChem
Article
PubMed
<1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 4 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50552430
PNG
(CHEMBL4798369)
Show SMILES CN1CCN(CC2Cc3cc(ccc3O2)-c2ccccc2)CC1
PDB

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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
<1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 4 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair