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Compile Data Set for Download or QSAR

Found 80 hits of kd data for polymerid = 2288,2294,50001382   
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 H3 receptor


(Rattus norvegicus (rat))
BDBM50278350
PNG
(4-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)benzyl)pi...)
Show SMILES FC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
Show InChI InChI=1S/C20H31FN2O/c21-19-9-14-23(15-10-19)17-18-5-7-20(8-6-18)24-16-4-13-22-11-2-1-3-12-22/h5-8,19H,1-4,9-17H2
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n/an/an/a 0.340n/an/an/an/an/a



ETH Zurich (Swiss Federal Institute of Technology)

Curated by ChEMBL


Assay Description
Binding affinity to rat brain histamine H3 receptor after 1 hr by gamma counting


Bioorg Med Chem 20: 2889-96 (2012)


Article DOI: 10.1016/j.bmc.2012.03.024
BindingDB Entry DOI: 10.7270/Q2JQ1258
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50586476
PNG
(CHEMBL5081713)
Show SMILES CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCOCCOCCOCCNC(=O)C3CCN(Cc4ccc(OCCCN5CCCCC5)cc4)CC3)c3ccc(cc3oc2c1)=[N+](C)C |(50.94,-7.72,;49.61,-6.94,;49.62,-5.4,;48.28,-7.7,;46.93,-6.92,;45.6,-7.69,;45.59,-9.23,;44.26,-9.99,;42.94,-9.22,;41.6,-9.98,;40.27,-9.21,;40.28,-7.67,;41.61,-6.9,;42.94,-7.67,;44.27,-6.9,;45.75,-6.49,;44.27,-5.36,;38.95,-6.89,;38.95,-5.35,;37.61,-7.66,;36.28,-6.88,;34.94,-7.65,;33.61,-6.87,;32.28,-7.64,;30.95,-6.86,;29.61,-7.63,;28.28,-6.85,;26.94,-7.62,;25.61,-6.84,;24.27,-7.61,;22.94,-6.83,;21.61,-7.6,;20.28,-6.82,;20.28,-5.28,;18.94,-7.59,;18.93,-9.13,;17.6,-9.89,;16.28,-9.11,;14.94,-9.88,;13.61,-9.11,;12.28,-9.88,;10.94,-9.11,;10.95,-7.57,;9.62,-6.8,;8.28,-7.57,;6.95,-6.79,;5.61,-7.56,;4.28,-6.79,;2.95,-7.55,;1.63,-6.79,;1.63,-5.25,;2.95,-4.47,;4.28,-5.25,;12.28,-6.8,;13.6,-7.57,;16.26,-7.58,;17.6,-6.81,;44.26,-11.53,;42.94,-12.29,;42.93,-13.82,;44.25,-14.58,;45.57,-13.83,;45.58,-12.31,;46.92,-11.55,;46.93,-10,;48.27,-9.25,;44.25,-16.12,;42.92,-16.9,;45.58,-16.9,)|
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n/an/an/a 0.676n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human H3R expressed in HEK293 cells by flow cytometric analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01089
BindingDB Entry DOI: 10.7270/Q2TB1BTS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50538678
PNG
(CHEMBL4642520)
Show SMILES OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCCCc3c[nH]cn3)c(C)c2)cc1
Show InChI InChI=1S/C27H35N4/c1-22-18-25(11-8-7-10-24-13-15-27(16-14-24)30(3)4)19-23(2)31(22)17-9-5-6-12-26-20-28-21-29-26/h7-8,10-11,13-16,18-21H,5-6,9,12,17H2,1-4H3,(H,28,29)/q+1
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n/an/an/a 0.970n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant NLuc/GPCR-fused H3R expressed in HEK293T cells measured after 30 mins by furimazine substrate based BRET assay


J Med Chem 63: 5297-5311 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00160
BindingDB Entry DOI: 10.7270/Q2WM1HZ1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50538678
PNG
(CHEMBL4642520)
Show SMILES OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCCCc3c[nH]cn3)c(C)c2)cc1
Show InChI InChI=1S/C27H35N4/c1-22-18-25(11-8-7-10-24-13-15-27(16-14-24)30(3)4)19-23(2)31(22)17-9-5-6-12-26-20-28-21-29-26/h7-8,10-11,13-16,18-21H,5-6,9,12,17H2,1-4H3,(H,28,29)/q+1
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n/an/an/a 0.970n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant NLuc/GPCR-fused H3R expressed in HEK293T cells measured after 30 mins by furimazine substrate based BRET assay


J Med Chem 63: 5297-5311 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00160
BindingDB Entry DOI: 10.7270/Q2WM1HZ1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50538677
PNG
(CHEMBL4635634)
Show SMILES OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCCc3c[nH]cn3)c(C)c2)cc1
Show InChI InChI=1S/C26H33N4/c1-21-17-24(10-6-5-9-23-12-14-26(15-13-23)29(3)4)18-22(2)30(21)16-8-7-11-25-19-27-20-28-25/h5-6,9-10,12-15,17-20H,7-8,11,16H2,1-4H3,(H,27,28)/q+1
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n/an/an/a 1.35n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant NLuc/GPCR-fused H3R expressed in HEK293T cells measured after 30 mins by furimazine substrate based BRET assay


J Med Chem 63: 5297-5311 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00160
BindingDB Entry DOI: 10.7270/Q2WM1HZ1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50538677
PNG
(CHEMBL4635634)
Show SMILES OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCCc3c[nH]cn3)c(C)c2)cc1
Show InChI InChI=1S/C26H33N4/c1-21-17-24(10-6-5-9-23-12-14-26(15-13-23)29(3)4)18-22(2)30(21)16-8-7-11-25-19-27-20-28-25/h5-6,9-10,12-15,17-20H,7-8,11,16H2,1-4H3,(H,27,28)/q+1
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n/an/an/a 1.40n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant NLuc/GPCR-fused H3R expressed in HEK293T cells measured after 30 mins by furimazine substrate based BRET assay


J Med Chem 63: 5297-5311 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00160
BindingDB Entry DOI: 10.7270/Q2WM1HZ1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50346208
PNG
((1-isopropylpiperidin-4-yl)(4-(piperidin-1-ylmethy...)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C20H31N3O/c1-17(2)22-12-14-23(15-13-22)20(24)19-8-6-18(7-9-19)16-21-10-4-3-5-11-21/h6-9,17H,3-5,10-16H2,1-2H3
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n/an/an/a 1.82n/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H3 receptor in rat cortical hemispheres assessed as inhibition of forskolin stimulated cAMP accumulation after 6 hrs


Eur J Med Chem 44: 4413-25 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50551404
PNG
(CHEMBL4764846)
Show SMILES OCCN(CCO)c1ccc2ncnc(Nc3cccc(Br)c3)c2c1
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n/an/an/a 1.90n/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]Nalpha-methylhistamine from recombinant human histamine H3 receptor stably transfected in HEK-293T cells membrane incubated for 9...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112150
BindingDB Entry DOI: 10.7270/Q2C53QGV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50538677
PNG
(CHEMBL4635634)
Show SMILES OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCCc3c[nH]cn3)c(C)c2)cc1
Show InChI InChI=1S/C26H33N4/c1-21-17-24(10-6-5-9-23-12-14-26(15-13-23)29(3)4)18-22(2)30(21)16-8-7-11-25-19-27-20-28-25/h5-6,9-10,12-15,17-20H,7-8,11,16H2,1-4H3,(H,27,28)/q+1
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n/an/an/a 2.5n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant NLuc/GPCR-fused H3R expressed in HEK293T cells assessed as dissociation constant measured after 30 mins in pres...


J Med Chem 63: 5297-5311 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00160
BindingDB Entry DOI: 10.7270/Q2WM1HZ1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50538677
PNG
(CHEMBL4635634)
Show SMILES OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCCc3c[nH]cn3)c(C)c2)cc1
Show InChI InChI=1S/C26H33N4/c1-21-17-24(10-6-5-9-23-12-14-26(15-13-23)29(3)4)18-22(2)30(21)16-8-7-11-25-19-27-20-28-25/h5-6,9-10,12-15,17-20H,7-8,11,16H2,1-4H3,(H,27,28)/q+1
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n/an/an/a 2.54n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant NLuc/GPCR-fused H3R expressed in HEK293T cells assessed as dissociation constant measured after 30 mins in pres...


J Med Chem 63: 5297-5311 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00160
BindingDB Entry DOI: 10.7270/Q2WM1HZ1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50246289
PNG
(3-methyl-2-(4-(3-(pyrrolidin-1-yl)propoxy)phenyl)q...)
Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C22H25N3O2/c1-24-21(23-20-8-3-2-7-19(20)22(24)26)17-9-11-18(12-10-17)27-16-6-15-25-13-4-5-14-25/h2-3,7-12H,4-6,13-16H2,1H3
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n/an/an/a 2.60n/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to mouse histamine H3 receptor overexpressed in HEK293 cells


Bioorg Med Chem Lett 19: 4075-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.025
BindingDB Entry DOI: 10.7270/Q2GQ6XSZ
More data for this
Ligand-Target Pair
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)
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n/an/an/a 3n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601553
PNG
(CHEMBL5209081)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCNC(=O)\N=C(/N)Nc1ccc(cc1)-c1sc(N)nc1C
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601555
PNG
(CHEMBL5207206)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCNC(=O)\N=C(/N)NCC1CCc2nc(N)sc2C1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601560
PNG
(CHEMBL5170276)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1nc(N)sc1-c1ccc(N\C(N)=N\C(=O)NC2CCCCC2)cc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601562
PNG
(CHEMBL5209479)
Show SMILES OC(=O)C(F)(F)F.CC(CNC(=O)\N=C(/N)NCCCc1nnc(C)s1)C1CCCCC1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601569
PNG
(CHEMBL5209021)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1nc(N)sc1-c1ccc(N\C(N)=N\C(=O)NCc2ccccc2)cc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601571
PNG
(CHEMBL5184846)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCC1CCc2nc(N)sc2C1)=N/C(=O)NCc1ccccc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601580
PNG
(CHEMBL5174342)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CNC(=O)\N=C(/N)Nc1ccc(cc1)-c1sc(N)nc1C)Cc1ccc(C)cc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601582
PNG
(CHEMBL5208113)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CNC(=O)\N=C(/N)NCC1CCc2nc(N)sc2C1)Cc1ccc(C)cc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601584
PNG
(CHEMBL5192993)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CCCc1ccccc1)CNC(=O)\N=C(/N)Nc1ccc(cc1)-c1sc(N)nc1C
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601586
PNG
(CHEMBL5194860)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CCCc1ccccc1)CNC(=O)\N=C(/N)NCC1CCc2nc(N)sc2C1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601551
PNG
(CHEMBL5207281)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)s1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601552
PNG
(CHEMBL5183205)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCNC(=O)\N=C(/N)NCCCc1cnc(N)s1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601553
PNG
(CHEMBL5209081)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCNC(=O)\N=C(/N)Nc1ccc(cc1)-c1sc(N)nc1C
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601554
PNG
(CHEMBL5204739)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCNC(=O)\N=C(/N)Nc1cccc(c1)-c1sc(N)nc1C
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601555
PNG
(CHEMBL5207206)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCNC(=O)\N=C(/N)NCC1CCc2nc(N)sc2C1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601556
PNG
(CHEMBL5200771)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)s1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601557
PNG
(CHEMBL5186770)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)o1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601558
PNG
(CHEMBL5189006)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1nnc(CCCN\C(N)=N\C(=O)NCCCCCCCCN)s1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601559
PNG
(CHEMBL5176780)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCCCCCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)s1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601560
PNG
(CHEMBL5170276)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1nc(N)sc1-c1ccc(N\C(N)=N\C(=O)NC2CCCCC2)cc1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601561
PNG
(CHEMBL5183015)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CNC(=O)\N=C(/N)NCCCc1oc(N)nc1C)C1CCCCC1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601563
PNG
(CHEMBL5204599)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CNC(=O)\N=C(/N)NCCCc1nnc(N)s1)C1CCCCC1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601564
PNG
(CHEMBL5205197)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CNC(=O)\N=C(/N)Nc1ccc(cc1)-c1sc(N)nc1C)C1CCCCC1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601565
PNG
(CHEMBL5197548)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1nc(N)oc1CCCN\C(N)=N\C(=O)NCc1ccccc1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601566
PNG
(CHEMBL5175558)
Show SMILES OC(=O)C(F)(F)F.Cc1nnc(CCCN\C(N)=N\C(=O)NCc2ccccc2)s1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601567
PNG
(CHEMBL5206565)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601568
PNG
(CHEMBL5178472)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1cnc(N)s1)=N/C(=O)NCc1ccccc1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601569
PNG
(CHEMBL5209021)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1nc(N)sc1-c1ccc(N\C(N)=N\C(=O)NCc2ccccc2)cc1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601570
PNG
(CHEMBL5173373)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1nc(N)sc1-c1cccc(N\C(N)=N\C(=O)NCc2ccccc2)c1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601572
PNG
(CHEMBL5208722)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@@H](NC(=O)\N=C(/N)NCCCc1c[nH]cn1)c1ccccc1 |r|
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601573
PNG
(CHEMBL5208845)
Show SMILES Cl.Cl.C[C@@H](NC(=O)\N=C(/N)NCCCc1nnc(N)s1)c1ccccc1 |r|
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601574
PNG
(CHEMBL5201074)
Show SMILES Cl.Cl.C[C@@H](NC(=O)\N=C(/N)NCCCc1ncn[nH]1)c1ccccc1 |r|
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601575
PNG
(CHEMBL5188592)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@@H](NC(=O)\N=C(/N)NCCCn1cc(CN(C)C)nn1)c1ccccc1 |r|
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601576
PNG
(CHEMBL5184911)
Show SMILES Cl.Cl.CC(NC(=O)\N=C(/N)NCCCc1nnc(N)s1)c1cccc(F)c1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601577
PNG
(CHEMBL5180504)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CNC(=O)\N=C(/N)NCCCc1nnc(N)s1)Cc1ccc(C)cc1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601578
PNG
(CHEMBL5200106)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CNC(=O)\N=C(/N)NCCCc1nnc(N)o1)Cc1ccc(C)cc1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601579
PNG
(CHEMBL5202592)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CNC(=O)\N=C(/N)NCCCc1cnc(N)s1)Cc1ccc(C)cc1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50601580
PNG
(CHEMBL5174342)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(CNC(=O)\N=C(/N)Nc1ccc(cc1)-c1sc(N)nc1C)Cc1ccc(C)cc1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
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