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Compile Data Set for Download or QSAR

Found 180 hits Enz. Inhib. hit(s) with all data for entry = 50007398   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50509072
PNG
(CHEMBL4454158)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CCc2nc[nH]c2C1
Show InChI InChI=1S/C15H22N6/c1-15(2,3)9-17-14-16-6-4-13(20-14)21-7-5-11-12(8-21)19-10-18-11/h4,6,10H,5,7-9H2,1-3H3,(H,18,19)(H,16,17,20)
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3.30n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 3 nM [3H]Nalpha-methylhistamine from human H3R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition bind...


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50509078
PNG
(CHEMBL4443126)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN[C@@H]1CCN(C1)c1ccnc(NCC(C)(C)C)n1 |r|
Show InChI InChI=1S/C14H25N5.2C2HF3O2/c1-14(2,3)10-17-13-16-7-5-12(18-13)19-8-6-11(9-19)15-4;2*3-2(4,5)1(6)7/h5,7,11,15H,6,8-10H2,1-4H3,(H,16,17,18);2*(H,6,7)/t11-;;/m1../s1
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3.80n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 40 nM [3H]-histamine from human H4R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition binding assay


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50509072
PNG
(CHEMBL4454158)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CCc2nc[nH]c2C1
Show InChI InChI=1S/C15H22N6/c1-15(2,3)9-17-14-16-6-4-13(20-14)21-7-5-11-12(8-21)19-10-18-11/h4,6,10H,5,7-9H2,1-3H3,(H,18,19)(H,16,17,20)
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5.10n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 10 nM [3H]-histamine from human H4R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition binding assay


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50509071
PNG
(CHEMBL4455324)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CC[C@@H](N)C1 |r|
Show InChI InChI=1S/C13H23N5.2C2HF3O2/c1-13(2,3)9-16-12-15-6-4-11(17-12)18-7-5-10(14)8-18;2*3-2(4,5)1(6)7/h4,6,10H,5,7-9,14H2,1-3H3,(H,15,16,17);2*(H,6,7)/t10-;;/m1../s1
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8.5n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 10 nM [3H]-histamine from human H4R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition binding assay


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50509081
PNG
(CHEMBL4470527)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(NCCCc2c[nH]cn2)n1
Show InChI InChI=1S/C15H24N6/c1-15(2,3)10-19-14-18-8-6-13(21-14)17-7-4-5-12-9-16-11-20-12/h6,8-9,11H,4-5,7,10H2,1-3H3,(H,16,20)(H2,17,18,19,21)
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9.30n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 2 nM [3H]UR-PI294 from human H3R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition binding assay


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50509077
PNG
(CHEMBL4473753)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(NCCc2c[nH]cn2)n1
Show InChI InChI=1S/C14H22N6/c1-14(2,3)9-18-13-17-7-5-12(20-13)16-6-4-11-8-15-10-19-11/h5,7-8,10H,4,6,9H2,1-3H3,(H,15,19)(H2,16,17,18,20)
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9.5n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 2 nM [3H]UR-PI294 from human H3R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition binding assay


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50509065
PNG
(CHEMBL4439142)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)[C@@H]1CCN(C1)c1ccnc(NCC(C)(C)C)n1 |r|
Show InChI InChI=1S/C15H27N5.2C2HF3O2/c1-15(2,3)11-17-14-16-8-6-13(18-14)20-9-7-12(10-20)19(4)5;2*3-2(4,5)1(6)7/h6,8,12H,7,9-11H2,1-5H3,(H,16,17,18);2*(H,6,7)/t12-;;/m1../s1
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12n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 10 nM [3H]-histamine from human H4R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition binding assay


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50509067
PNG
(CHEMBL4518374)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CCCNCC1
Show InChI InChI=1S/C14H25N5/c1-14(2,3)11-17-13-16-7-5-12(18-13)19-9-4-6-15-8-10-19/h5,7,15H,4,6,8-11H2,1-3H3,(H,16,17,18)
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13n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 40 nM [3H]-histamine from human H4R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition binding assay


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50170165
PNG
(Iodophenpropit)
Show SMILES N\C(SCCCc1cnc[nH]1)=N\CCc1ccc(I)cc1
Show InChI InChI=1S/C15H19IN4S/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20)
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13n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human H4R


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50509071
PNG
(CHEMBL4455324)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CC[C@@H](N)C1 |r|
Show InChI InChI=1S/C13H23N5.2C2HF3O2/c1-13(2,3)9-16-12-15-6-4-11(17-12)18-7-5-10(14)8-18;2*3-2(4,5)1(6)7/h4,6,10H,5,7-9,14H2,1-3H3,(H,15,16,17);2*(H,6,7)/t10-;;/m1../s1
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14n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 3 nM [3H]Nalpha-methylhistamine from human H3R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition bind...


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50509078
PNG
(CHEMBL4443126)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN[C@@H]1CCN(C1)c1ccnc(NCC(C)(C)C)n1 |r|
Show InChI InChI=1S/C14H25N5.2C2HF3O2/c1-14(2,3)10-17-13-16-7-5-12(18-13)19-8-6-11(9-19)15-4;2*3-2(4,5)1(6)7/h5,7,11,15H,6,8-10H2,1-4H3,(H,16,17,18);2*(H,6,7)/t11-;;/m1../s1
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28n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 2 nM [3H]UR-PI294 from human H3R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition binding assay


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50509078
PNG
(CHEMBL4443126)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN[C@@H]1CCN(C1)c1ccnc(NCC(C)(C)C)n1 |r|
Show InChI InChI=1S/C14H25N5.2C2HF3O2/c1-14(2,3)10-17-13-16-7-5-12(18-13)19-8-6-11(9-19)15-4;2*3-2(4,5)1(6)7/h5,7,11,15H,6,8-10H2,1-4H3,(H,16,17,18);2*(H,6,7)/t11-;;/m1../s1
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28n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 3 nM [3H]Nalpha-methylhistamine from human H3R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition bind...


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50509075
PNG
(CHEMBL4437371)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(NCCCN)n1
Show InChI InChI=1S/C12H23N5/c1-12(2,3)9-16-11-15-8-5-10(17-11)14-7-4-6-13/h5,8H,4,6-7,9,13H2,1-3H3,(H2,14,15,16,17)
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36n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 40 nM [3H]-histamine from human H4R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition binding assay


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50509074
PNG
(CHEMBL4543119)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN1CCCN(CC1)c1ccnc(NCC(C)(C)C)n1
Show InChI InChI=1S/C15H27N5/c1-15(2,3)12-17-14-16-7-6-13(18-14)20-9-5-8-19(4)10-11-20/h6-7H,5,8-12H2,1-4H3,(H,16,17,18)
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63n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 10 nM [3H]-histamine from human H4R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition binding assay


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50509064
PNG
(CHEMBL4445423)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CC[C@H](C1)NC(N)=N |r|
Show InChI InChI=1S/C14H25N7.2C2HF3O2/c1-14(2,3)9-18-13-17-6-4-11(20-13)21-7-5-10(8-21)19-12(15)16;2*3-2(4,5)1(6)7/h4,6,10H,5,7-9H2,1-3H3,(H4,15,16,19)(H,17,18,20);2*(H,6,7)/t10-;;/m1../s1
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69n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 40 nM [3H]-histamine from human H4R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition binding assay


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50509064
PNG
(CHEMBL4445423)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CC[C@H](C1)NC(N)=N |r|
Show InChI InChI=1S/C14H25N7.2C2HF3O2/c1-14(2,3)9-18-13-17-6-4-11(20-13)21-7-5-10(8-21)19-12(15)16;2*3-2(4,5)1(6)7/h4,6,10H,5,7-9H2,1-3H3,(H4,15,16,19)(H,17,18,20);2*(H,6,7)/t10-;;/m1../s1
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69n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 10 nM [3H]-histamine from human H4R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition binding assay


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50509069
PNG
(CHEMBL4534254)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN1CCN(CC1)c1ccnc(NCC(C)(C)C)n1
Show InChI InChI=1S/C14H25N5/c1-14(2,3)11-16-13-15-6-5-12(17-13)19-9-7-18(4)8-10-19/h5-6H,7-11H2,1-4H3,(H,15,16,17)
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115n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 10 nM [3H]-histamine from human H4R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition binding assay


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50509065
PNG
(CHEMBL4439142)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)[C@@H]1CCN(C1)c1ccnc(NCC(C)(C)C)n1 |r|
Show InChI InChI=1S/C15H27N5.2C2HF3O2/c1-15(2,3)11-17-14-16-8-6-13(18-14)20-9-7-12(10-20)19(4)5;2*3-2(4,5)1(6)7/h6,8,12H,7,9-11H2,1-5H3,(H,16,17,18);2*(H,6,7)/t12-;;/m1../s1
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145n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 3 nM [3H]Nalpha-methylhistamine from human H3R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition bind...


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM335440
PNG
((2,2-Dimethyl-propyl)-(4-piperazin-1-yl-pyrimidin-...)
Show SMILES CC(C)(C)CNc1nccc(n1)N1CCNCC1
Show InChI InChI=1S/C13H23N5/c1-13(2,3)10-16-12-15-5-4-11(17-12)18-8-6-14-7-9-18/h4-5,14H,6-10H2,1-3H3,(H,15,16,17)
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PubMed
186n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 10 nM [3H]-histamine from human H4R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition binding assay


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50509070
PNG
(CHEMBL4586599)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(NCCN)n1
Show InChI InChI=1S/C11H21N5/c1-11(2,3)8-15-10-14-6-4-9(16-10)13-7-5-12/h4,6H,5,7-8,12H2,1-3H3,(H2,13,14,15,16)
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204n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 10 nM [3H]-histamine from human H4R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition binding assay


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50509076
PNG
(CHEMBL4543928)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(NC2CCNC2)n1
Show InChI InChI=1S/C13H23N5.2C2HF3O2/c1-13(2,3)9-16-12-15-7-5-11(18-12)17-10-4-6-14-8-10;2*3-2(4,5)1(6)7/h5,7,10,14H,4,6,8-9H2,1-3H3,(H2,15,16,17,18);2*(H,6,7)
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204n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 3 nM [3H]Nalpha-methylhistamine from human H3R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition bind...


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50509076
PNG
(CHEMBL4543928)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(NC2CCNC2)n1
Show InChI InChI=1S/C13H23N5.2C2HF3O2/c1-13(2,3)9-16-12-15-7-5-11(18-12)17-10-4-6-14-8-10;2*3-2(4,5)1(6)7/h5,7,10,14H,4,6,8-9H2,1-3H3,(H2,15,16,17,18);2*(H,6,7)
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204n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 2 nM [3H]UR-PI294 from human H3R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition binding assay


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50509077
PNG
(CHEMBL4473753)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(NCCc2c[nH]cn2)n1
Show InChI InChI=1S/C14H22N6/c1-14(2,3)9-18-13-17-7-5-12(20-13)16-6-4-11-8-15-10-19-11/h5,7-8,10H,4,6,9H2,1-3H3,(H,15,19)(H2,16,17,18,20)
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204n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 40 nM [3H]-histamine from human H4R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition binding assay


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50509076
PNG
(CHEMBL4543928)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(NC2CCNC2)n1
Show InChI InChI=1S/C13H23N5.2C2HF3O2/c1-13(2,3)9-16-12-15-7-5-11(18-12)17-10-4-6-14-8-10;2*3-2(4,5)1(6)7/h5,7,10,14H,4,6,8-9H2,1-3H3,(H2,15,16,17,18);2*(H,6,7)
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309n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 40 nM [3H]-histamine from human H4R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition binding assay


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50509068
PNG
(CHEMBL4515149)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[3H]C([3H])([3H])N(C)[C@@H]1CCN(C1)c1ccnc(NCC(C)(C)C)n1 |r|
Show InChI InChI=1S/C15H27N5.2C2HF3O2/c1-15(2,3)11-17-14-16-8-6-13(18-14)20-9-7-12(10-20)19(4)5;2*3-2(4,5)1(6)7/h6,8,12H,7,9-11H2,1-5H3,(H,16,17,18);2*(H,6,7)/t12-;;/m1../s1/i4T3;;
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355n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-UR-DEBa176 from human H4R expressed in HEK293T-SF-His6-CRE-Luc cells


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50509081
PNG
(CHEMBL4470527)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(NCCCc2c[nH]cn2)n1
Show InChI InChI=1S/C15H24N6/c1-15(2,3)10-19-14-18-8-6-13(21-14)17-7-4-5-12-9-16-11-20-12/h6,8-9,11H,4-5,7,10H2,1-3H3,(H,16,20)(H2,17,18,19,21)
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447n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 40 nM [3H]-histamine from human H4R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition binding assay


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Mus musculus (mouse))
BDBM50509068
PNG
(CHEMBL4515149)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[3H]C([3H])([3H])N(C)[C@@H]1CCN(C1)c1ccnc(NCC(C)(C)C)n1 |r|
Show InChI InChI=1S/C15H27N5.2C2HF3O2/c1-15(2,3)11-17-14-16-8-6-13(18-14)20-9-7-12(10-20)19(4)5;2*3-2(4,5)1(6)7/h6,8,12H,7,9-11H2,1-5H3,(H,16,17,18);2*(H,6,7)/t12-;;/m1../s1/i4T3;;
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490n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-UR-DEBa176 from mouse H4R expressed in HEK293T-SF-His6-CRE-Luc cells


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50509068
PNG
(CHEMBL4515149)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[3H]C([3H])([3H])N(C)[C@@H]1CCN(C1)c1ccnc(NCC(C)(C)C)n1 |r|
Show InChI InChI=1S/C15H27N5.2C2HF3O2/c1-15(2,3)11-17-14-16-8-6-13(18-14)20-9-7-12(10-20)19(4)5;2*3-2(4,5)1(6)7/h6,8,12H,7,9-11H2,1-5H3,(H,16,17,18);2*(H,6,7)/t12-;;/m1../s1/i4T3;;
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501n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]UR-PI294 from human H3R expressed in HEK293T cells


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50509068
PNG
(CHEMBL4515149)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[3H]C([3H])([3H])N(C)[C@@H]1CCN(C1)c1ccnc(NCC(C)(C)C)n1 |r|
Show InChI InChI=1S/C15H27N5.2C2HF3O2/c1-15(2,3)11-17-14-16-8-6-13(18-14)20-9-7-12(10-20)19(4)5;2*3-2(4,5)1(6)7/h6,8,12H,7,9-11H2,1-5H3,(H,16,17,18);2*(H,6,7)/t12-;;/m1../s1/i4T3;;
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501n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]UR-PI294 from human H3R expressed in human SK-N-MC-cells


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50509068
PNG
(CHEMBL4515149)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[3H]C([3H])([3H])N(C)[C@@H]1CCN(C1)c1ccnc(NCC(C)(C)C)n1 |r|
Show InChI InChI=1S/C15H27N5.2C2HF3O2/c1-15(2,3)11-17-14-16-8-6-13(18-14)20-9-7-12(10-20)19(4)5;2*3-2(4,5)1(6)7/h6,8,12H,7,9-11H2,1-5H3,(H,16,17,18);2*(H,6,7)/t12-;;/m1../s1/i4T3;;
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501n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]UR-PI294 from human H3R expressed in Sf9 cells co-expressing Galphai2 and Gbeta1gamma2


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50509068
PNG
(CHEMBL4515149)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[3H]C([3H])([3H])N(C)[C@@H]1CCN(C1)c1ccnc(NCC(C)(C)C)n1 |r|
Show InChI InChI=1S/C15H27N5.2C2HF3O2/c1-15(2,3)11-17-14-16-8-6-13(18-14)20-9-7-12(10-20)19(4)5;2*3-2(4,5)1(6)7/h6,8,12H,7,9-11H2,1-5H3,(H,16,17,18);2*(H,6,7)/t12-;;/m1../s1/i4T3;;
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501n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H3R expressed in HEK293T cells


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50509068
PNG
(CHEMBL4515149)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[3H]C([3H])([3H])N(C)[C@@H]1CCN(C1)c1ccnc(NCC(C)(C)C)n1 |r|
Show InChI InChI=1S/C15H27N5.2C2HF3O2/c1-15(2,3)11-17-14-16-8-6-13(18-14)20-9-7-12(10-20)19(4)5;2*3-2(4,5)1(6)7/h6,8,12H,7,9-11H2,1-5H3,(H,16,17,18);2*(H,6,7)/t12-;;/m1../s1/i4T3;;
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501n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]UR-PI294 from human H3R expressed in Sf9 cells co-expressing RGS19 and Galphai2 and Gbeta1gamma2


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50509068
PNG
(CHEMBL4515149)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[3H]C([3H])([3H])N(C)[C@@H]1CCN(C1)c1ccnc(NCC(C)(C)C)n1 |r|
Show InChI InChI=1S/C15H27N5.2C2HF3O2/c1-15(2,3)11-17-14-16-8-6-13(18-14)20-9-7-12(10-20)19(4)5;2*3-2(4,5)1(6)7/h6,8,12H,7,9-11H2,1-5H3,(H,16,17,18);2*(H,6,7)/t12-;;/m1../s1/i4T3;;
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501n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H3R expressed in Sf9 cells co-expressing RGS19 and Galpha1 and Gbeta1gamma2


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50509068
PNG
(CHEMBL4515149)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[3H]C([3H])([3H])N(C)[C@@H]1CCN(C1)c1ccnc(NCC(C)(C)C)n1 |r|
Show InChI InChI=1S/C15H27N5.2C2HF3O2/c1-15(2,3)11-17-14-16-8-6-13(18-14)20-9-7-12(10-20)19(4)5;2*3-2(4,5)1(6)7/h6,8,12H,7,9-11H2,1-5H3,(H,16,17,18);2*(H,6,7)/t12-;;/m1../s1/i4T3;;
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501n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H3R expressed in Sf9 cells co-expressing Galpha1 and Gbeta1gamma2


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50509068
PNG
(CHEMBL4515149)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[3H]C([3H])([3H])N(C)[C@@H]1CCN(C1)c1ccnc(NCC(C)(C)C)n1 |r|
Show InChI InChI=1S/C15H27N5.2C2HF3O2/c1-15(2,3)11-17-14-16-8-6-13(18-14)20-9-7-12(10-20)19(4)5;2*3-2(4,5)1(6)7/h6,8,12H,7,9-11H2,1-5H3,(H,16,17,18);2*(H,6,7)/t12-;;/m1../s1/i4T3;;
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501n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H3R expressed in human SK-N-MC-cells


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50509067
PNG
(CHEMBL4518374)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CCCNCC1
Show InChI InChI=1S/C14H25N5/c1-14(2,3)11-17-13-16-7-5-12(18-13)19-9-4-6-15-8-10-19/h5,7,15H,4,6,8-11H2,1-3H3,(H,16,17,18)
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537n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 2 nM [3H]UR-PI294 from human H3R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition binding assay


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50509073
PNG
(CHEMBL4466349)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1[nH]cnc1CSCCNc1ccnc(NCC(C)(C)C)n1
Show InChI InChI=1S/C16H26N6S/c1-12-13(21-11-20-12)9-23-8-7-17-14-5-6-18-15(22-14)19-10-16(2,3)4/h5-6,11H,7-10H2,1-4H3,(H,20,21)(H2,17,18,19,22)
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562n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 20 nM [3H]UR-DE257 from human H2R expressed in Sf9 cell membranes co-expressing GsalphaS by competition binding assay


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50509082
PNG
(CHEMBL4576393)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CCN(CC1)C(N)=N
Show InChI InChI=1S/C14H25N7/c1-14(2,3)10-18-13-17-5-4-11(19-13)20-6-8-21(9-7-20)12(15)16/h4-5H,6-10H2,1-3H3,(H3,15,16)(H,17,18,19)
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617n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 10 nM [3H]-histamine from human H4R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition binding assay


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50509070
PNG
(CHEMBL4586599)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(NCCN)n1
Show InChI InChI=1S/C11H21N5/c1-11(2,3)8-15-10-14-6-4-9(16-10)13-7-5-12/h4,6H,5,7-8,12H2,1-3H3,(H2,13,14,15,16)
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692n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 3 nM [3H]Nalpha-methylhistamine from human H3R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition bind...


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50509076
PNG
(CHEMBL4543928)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(NC2CCNC2)n1
Show InChI InChI=1S/C13H23N5.2C2HF3O2/c1-13(2,3)9-16-12-15-7-5-11(18-12)17-10-4-6-14-8-10;2*3-2(4,5)1(6)7/h5,7,10,14H,4,6,8-9H2,1-3H3,(H2,15,16,17,18);2*(H,6,7)
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<1.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 20 nM [3H]UR-DE257 from human H2R expressed in Sf9 cell membranes co-expressing GsalphaS by competition binding assay


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50509065
PNG
(CHEMBL4439142)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)[C@@H]1CCN(C1)c1ccnc(NCC(C)(C)C)n1 |r|
Show InChI InChI=1S/C15H27N5.2C2HF3O2/c1-15(2,3)11-17-14-16-8-6-13(18-14)20-9-7-12(10-20)19(4)5;2*3-2(4,5)1(6)7/h6,8,12H,7,9-11H2,1-5H3,(H,16,17,18);2*(H,6,7)/t12-;;/m1../s1
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<1.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 20 nM [3H]UR-DE257 from human H2R expressed in Sf9 cell membranes co-expressing GsalphaS by competition binding assay


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50509070
PNG
(CHEMBL4586599)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(NCCN)n1
Show InChI InChI=1S/C11H21N5/c1-11(2,3)8-15-10-14-6-4-9(16-10)13-7-5-12/h4,6H,5,7-8,12H2,1-3H3,(H2,13,14,15,16)
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<1.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 5 nM [3H-pyrilamine from human H1R expressed in Sf9 cell membranes co-expressing RGS4 by competition binding assay


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50509064
PNG
(CHEMBL4445423)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CC[C@H](C1)NC(N)=N |r|
Show InChI InChI=1S/C14H25N7.2C2HF3O2/c1-14(2,3)9-18-13-17-6-4-11(20-13)21-7-5-10(8-21)19-12(15)16;2*3-2(4,5)1(6)7/h4,6,10H,5,7-9H2,1-3H3,(H4,15,16,19)(H,17,18,20);2*(H,6,7)/t10-;;/m1../s1
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<1.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 20 nM [3H]UR-DE257 from human H2R expressed in Sf9 cell membranes co-expressing GsalphaS by competition binding assay


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50509082
PNG
(CHEMBL4576393)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CCN(CC1)C(N)=N
Show InChI InChI=1S/C14H25N7/c1-14(2,3)10-18-13-17-5-4-11(19-13)20-6-8-21(9-7-20)12(15)16/h4-5H,6-10H2,1-3H3,(H3,15,16)(H,17,18,19)
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<1.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 5 nM [3H-pyrilamine from human H1R expressed in Sf9 cell membranes co-expressing RGS4 by competition binding assay


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50509073
PNG
(CHEMBL4466349)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1[nH]cnc1CSCCNc1ccnc(NCC(C)(C)C)n1
Show InChI InChI=1S/C16H26N6S/c1-12-13(21-11-20-12)9-23-8-7-17-14-5-6-18-15(22-14)19-10-16(2,3)4/h5-6,11H,7-10H2,1-4H3,(H,20,21)(H2,17,18,19,22)
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<1.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 5 nM [3H-pyrilamine from human H1R expressed in Sf9 cell membranes co-expressing RGS4 by competition binding assay


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50509074
PNG
(CHEMBL4543119)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN1CCCN(CC1)c1ccnc(NCC(C)(C)C)n1
Show InChI InChI=1S/C15H27N5/c1-15(2,3)12-17-14-16-7-6-13(18-14)20-9-5-8-19(4)10-11-20/h6-7H,5,8-12H2,1-4H3,(H,16,17,18)
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<1.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 20 nM [3H]UR-DE257 from human H2R expressed in Sf9 cell membranes co-expressing GsalphaS by competition binding assay


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50509075
PNG
(CHEMBL4437371)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(NCCCN)n1
Show InChI InChI=1S/C12H23N5/c1-12(2,3)9-16-11-15-8-5-10(17-11)14-7-4-6-13/h5,8H,4,6-7,9,13H2,1-3H3,(H2,14,15,16,17)
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<1.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 20 nM [3H]UR-DE257 from human H2R expressed in Sf9 cell membranes co-expressing GsalphaS by competition binding assay


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50509064
PNG
(CHEMBL4445423)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(n1)N1CC[C@H](C1)NC(N)=N |r|
Show InChI InChI=1S/C14H25N7.2C2HF3O2/c1-14(2,3)9-18-13-17-6-4-11(20-13)21-7-5-10(8-21)19-12(15)16;2*3-2(4,5)1(6)7/h4,6,10H,5,7-9H2,1-3H3,(H4,15,16,19)(H,17,18,20);2*(H,6,7)/t10-;;/m1../s1
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1.12E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 3 nM [3H]Nalpha-methylhistamine from human H3R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition bind...


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50509066
PNG
(CHEMBL4513421)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)CNc1nccc(NC2CCNCC2)n1
Show InChI InChI=1S/C14H25N5/c1-14(2,3)10-17-13-16-9-6-12(19-13)18-11-4-7-15-8-5-11/h6,9,11,15H,4-5,7-8,10H2,1-3H3,(H2,16,17,18,19)
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1.91E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of 40 nM [3H]-histamine from human H4R expressed in Sf9 cell membranes co-expressing Gia2 and beta1gamma2 by competition binding assay


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Rattus norvegicus (rat))
BDBM50509068
PNG
(CHEMBL4515149)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[3H]C([3H])([3H])N(C)[C@@H]1CCN(C1)c1ccnc(NCC(C)(C)C)n1 |r|
Show InChI InChI=1S/C15H27N5.2C2HF3O2/c1-15(2,3)11-17-14-16-8-6-13(18-14)20-9-7-12(10-20)19(4)5;2*3-2(4,5)1(6)7/h6,8,12H,7,9-11H2,1-5H3,(H,16,17,18);2*(H,6,7)/t12-;;/m1../s1/i4T3;;
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1.95E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-UR-DEBa176 from rat H4R expressed in HEK293T-SF-His6-CRE-Luc cells


J Med Chem 62: 8338-8356 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01342
BindingDB Entry DOI: 10.7270/Q28K7DCH
More data for this
Ligand-Target Pair
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