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Compile Data Set for Download or QSAR

Found 1331 hits with Last Name = 'takahashi' and Initial = 't'   
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
Delta-type opioid receptor


(MOUSE)
BDBM50253136
PNG
(CHEMBL4075409)
PDB

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0.109n/an/an/an/an/an/an/an/a



Laboratory of Medicinal Chemistry, School of Pharmacy, Kitasato University, 5-9-1, Shirokane, Minato-ku, Tokyo 108-8641, Japan; Discovery Research Laboratories, Nippon Chemiphar Co., Ltd., 1-22, Hiko

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2742-2745 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.059
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50247054
PNG
(6-(3-cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azep...)
Show SMILES CNC(=O)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1
Show InChI InChI=1S/C21H25N3O2/c1-22-21(25)17-6-8-20(23-14-17)26-19-7-5-15-9-11-24(18-3-2-4-18)12-10-16(15)13-19/h5-8,13-14,18H,2-4,9-12H2,1H3,(H,22,25)
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0.120n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50253129
PNG
(CHEMBL4066752)
PDB

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0.154n/an/an/an/an/an/an/an/a



Laboratory of Medicinal Chemistry, School of Pharmacy, Kitasato University, 5-9-1, Shirokane, Minato-ku, Tokyo 108-8641, Japan; Discovery Research Laboratories, Nippon Chemiphar Co., Ltd., 1-22, Hiko

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2742-2745 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.059
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50247053
PNG
(1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...)
Show SMILES Clc1ccc(CCCOCCCN2CCCCC2)cc1
Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
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0.160n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor expressed in HEK293 cells by [35S]gammaS binding assay


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50268293
PNG
((5-(1-cyclobutylpiperidin-4-yloxy)-1-(2,2,2-triflu...)
Show SMILES FC(F)(F)Cn1c(cc2cc(OC3CCN(CC3)C3CCC3)ccc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C24H30F3N3O3/c25-24(26,27)16-30-21-5-4-20(33-19-6-8-28(9-7-19)18-2-1-3-18)14-17(21)15-22(30)23(31)29-10-12-32-13-11-29/h4-5,14-15,18-19H,1-3,6-13,16H2
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0.200n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213889
PNG
(3-[(Z)-5,6,7,8-tetrahydro-naphthalen-1-ylimino]-2-...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2CCCCc12
Show InChI InChI=1S/C21H28N2S3/c1-25-20(24)23-14-21(12-5-2-6-13-21)15-26-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h7,9,11H,2-6,8,10,12-15H2,1H3/b22-19-
PDB

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0.200n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
BindingDB Entry DOI: 10.7270/Q2RX9BR5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50254132
PNG
(CHEMBL4083940)
PDB

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0.211n/an/an/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3495-3498 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.072
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50253140
PNG
(CHEMBL4081856)
PDB

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0.221n/an/an/an/an/an/an/an/a



Laboratory of Medicinal Chemistry, School of Pharmacy, Kitasato University, 5-9-1, Shirokane, Minato-ku, Tokyo 108-8641, Japan; Discovery Research Laboratories, Nippon Chemiphar Co., Ltd., 1-22, Hiko

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2742-2745 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.059
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50254124
PNG
(CHEMBL4103044)
PDB

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0.221n/an/an/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3495-3498 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.072
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50254133
PNG
(CHEMBL4076632)
PDB

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0.265n/an/an/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3495-3498 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.072
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50253129
PNG
(CHEMBL4066752)
PDB

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0.274n/an/an/an/an/an/an/an/a



Laboratory of Medicinal Chemistry, School of Pharmacy, Kitasato University, 5-9-1, Shirokane, Minato-ku, Tokyo 108-8641, Japan; Discovery Research Laboratories, Nippon Chemiphar Co., Ltd., 1-22, Hiko

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2742-2745 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.059
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50268291
PNG
((1-(3,4-dichlorophenyl)-5-(1-isopropylpiperidin-4-...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(c(cc2c1)C(=O)N1CCC(F)(F)CC1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H31Cl2F2N3O2/c1-18(2)33-11-7-21(8-12-33)37-22-4-6-25-19(15-22)16-26(27(36)34-13-9-28(31,32)10-14-34)35(25)20-3-5-23(29)24(30)17-20/h3-6,15-18,21H,7-14H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50253138
PNG
(CHEMBL4076303)
PDB

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0.301n/an/an/an/an/an/an/an/a



Laboratory of Medicinal Chemistry, School of Pharmacy, Kitasato University, 5-9-1, Shirokane, Minato-ku, Tokyo 108-8641, Japan; Discovery Research Laboratories, Nippon Chemiphar Co., Ltd., 1-22, Hiko

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2742-2745 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.059
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50253140
PNG
(CHEMBL4081856)
PDB

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0.308n/an/an/an/an/an/an/an/a



Laboratory of Medicinal Chemistry, School of Pharmacy, Kitasato University, 5-9-1, Shirokane, Minato-ku, Tokyo 108-8641, Japan; Discovery Research Laboratories, Nippon Chemiphar Co., Ltd., 1-22, Hiko

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2742-2745 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.059
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50254124
PNG
(CHEMBL4103044)
PDB

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0.313n/an/an/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3495-3498 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.072
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50253129
PNG
(CHEMBL4066752)
PDB

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0.325n/an/an/an/an/an/an/an/a



Laboratory of Medicinal Chemistry, School of Pharmacy, Kitasato University, 5-9-1, Shirokane, Minato-ku, Tokyo 108-8641, Japan; Discovery Research Laboratories, Nippon Chemiphar Co., Ltd., 1-22, Hiko

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2742-2745 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.059
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50254133
PNG
(CHEMBL4076632)
PDB

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0.336n/an/an/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3495-3498 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.072
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50254131
PNG
(CHEMBL4094845)
PDB

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0.356n/an/an/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3495-3498 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.072
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50254132
PNG
(CHEMBL4083940)
PDB

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0.362n/an/an/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3495-3498 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.072
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50253137
PNG
(CHEMBL4076673)
PDB

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0.368n/an/an/an/an/an/an/an/a



Laboratory of Medicinal Chemistry, School of Pharmacy, Kitasato University, 5-9-1, Shirokane, Minato-ku, Tokyo 108-8641, Japan; Discovery Research Laboratories, Nippon Chemiphar Co., Ltd., 1-22, Hiko

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2742-2745 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.059
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50253138
PNG
(CHEMBL4076303)
PDB

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0.383n/an/an/an/an/an/an/an/a



Laboratory of Medicinal Chemistry, School of Pharmacy, Kitasato University, 5-9-1, Shirokane, Minato-ku, Tokyo 108-8641, Japan; Discovery Research Laboratories, Nippon Chemiphar Co., Ltd., 1-22, Hiko

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2742-2745 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.059
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50268323
PNG
((5-(1-cyclopropylpiperidin-4-yloxy)-1-(2,2,2-trifl...)
Show SMILES FC(F)(F)Cn1c(cc2cc(OC3CCN(CC3)C3CC3)ccc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C23H28F3N3O3/c24-23(25,26)15-29-20-4-3-19(32-18-5-7-27(8-6-18)17-1-2-17)13-16(20)14-21(29)22(30)28-9-11-31-12-10-28/h3-4,13-14,17-18H,1-2,5-12,15H2
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0.400n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50139391
PNG
((R)-4-(2-(2-(2-methylpyrrolidin-1-yl)ethyl)benzofu...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C22H22N2O/c1-16-3-2-11-24(16)12-10-21-14-20-13-19(8-9-22(20)25-21)18-6-4-17(15-23)5-7-18/h4-9,13-14,16H,2-3,10-12H2,1H3/t16-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50254124
PNG
(CHEMBL4103044)
PDB

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0.455n/an/an/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3495-3498 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.072
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50253139
PNG
(CHEMBL4096314)
PDB

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0.458n/an/an/an/an/an/an/an/a



Laboratory of Medicinal Chemistry, School of Pharmacy, Kitasato University, 5-9-1, Shirokane, Minato-ku, Tokyo 108-8641, Japan; Discovery Research Laboratories, Nippon Chemiphar Co., Ltd., 1-22, Hiko

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2742-2745 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.059
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50254123
PNG
(CHEMBL4068691)
PDB

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0.458n/an/an/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3495-3498 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.072
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50254131
PNG
(CHEMBL4094845)
PDB

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0.479n/an/an/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3495-3498 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.072
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50253158
PNG
(CHEMBL4100943)
PDB

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0.501n/an/an/an/an/an/an/an/a



Laboratory of Medicinal Chemistry, School of Pharmacy, Kitasato University, 5-9-1, Shirokane, Minato-ku, Tokyo 108-8641, Japan; Discovery Research Laboratories, Nippon Chemiphar Co., Ltd., 1-22, Hiko

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2742-2745 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.059
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50254120
PNG
(CHEMBL4076681)
PDB

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0.522n/an/an/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3495-3498 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50254133
PNG
(CHEMBL4076632)
PDB

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UniChem
Article
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0.545n/an/an/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3495-3498 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.072
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50253139
PNG
(CHEMBL4096314)
PDB

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0.548n/an/an/an/an/an/an/an/a



Laboratory of Medicinal Chemistry, School of Pharmacy, Kitasato University, 5-9-1, Shirokane, Minato-ku, Tokyo 108-8641, Japan; Discovery Research Laboratories, Nippon Chemiphar Co., Ltd., 1-22, Hiko

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2742-2745 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.059
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50254123
PNG
(CHEMBL4068691)
PDB

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0.564n/an/an/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3495-3498 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50254132
PNG
(CHEMBL4083940)
PDB

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0.578n/an/an/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3495-3498 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.072
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50254130
PNG
(CHEMBL4061334)
PDB

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0.585n/an/an/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3495-3498 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.072
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50159110
PNG
(1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piper...)
Show SMILES C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1
Show InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2
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0.600n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50253129
PNG
(CHEMBL4066752)
PDB

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0.627n/an/an/an/an/an/an/an/a



Laboratory of Medicinal Chemistry, School of Pharmacy, Kitasato University, 5-9-1, Shirokane, Minato-ku, Tokyo 108-8641, Japan; Discovery Research Laboratories, Nippon Chemiphar Co., Ltd., 1-22, Hiko

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2742-2745 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.059
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50253140
PNG
(CHEMBL4081856)
PDB

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0.658n/an/an/an/an/an/an/an/a



Laboratory of Medicinal Chemistry, School of Pharmacy, Kitasato University, 5-9-1, Shirokane, Minato-ku, Tokyo 108-8641, Japan; Discovery Research Laboratories, Nippon Chemiphar Co., Ltd., 1-22, Hiko

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2742-2745 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.059
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50213889
PNG
(3-[(Z)-5,6,7,8-tetrahydro-naphthalen-1-ylimino]-2-...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2CCCCc12
Show InChI InChI=1S/C21H28N2S3/c1-25-20(24)23-14-21(12-5-2-6-13-21)15-26-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h7,9,11H,2-6,8,10,12-15H2,1H3/b22-19-
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0.700n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to mouse CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
BindingDB Entry DOI: 10.7270/Q2RX9BR5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50254123
PNG
(CHEMBL4068691)
PDB

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0.726n/an/an/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3495-3498 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.072
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50253135
PNG
(CHEMBL4060073)
PDB

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0.760n/an/an/an/an/an/an/an/a



Laboratory of Medicinal Chemistry, School of Pharmacy, Kitasato University, 5-9-1, Shirokane, Minato-ku, Tokyo 108-8641, Japan; Discovery Research Laboratories, Nippon Chemiphar Co., Ltd., 1-22, Hiko

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2742-2745 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.059
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50254122
PNG
(CHEMBL4098662)
PDB

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0.781n/an/an/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3495-3498 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213881
PNG
(3-[(Z)-2-isopropyl-phenylimino]-2-thia-4-aza-spiro...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1ccccc1C(C)C
Show InChI InChI=1S/C20H28N2S3/c1-15(2)16-9-5-6-10-17(16)21-18-22(19(23)24-3)13-20(14-25-18)11-7-4-8-12-20/h5-6,9-10,15H,4,7-8,11-14H2,1-3H3/b21-18-
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0.800n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
BindingDB Entry DOI: 10.7270/Q2RX9BR5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50254131
PNG
(CHEMBL4094845)
PDB

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0.813n/an/an/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3495-3498 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.072
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50254120
PNG
(CHEMBL4076681)
PDB

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0.826n/an/an/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3495-3498 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.072
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50254120
PNG
(CHEMBL4076681)
PDB

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0.833n/an/an/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3495-3498 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.072
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50253136
PNG
(CHEMBL4075409)
PDB

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0.833n/an/an/an/an/an/an/an/a



Laboratory of Medicinal Chemistry, School of Pharmacy, Kitasato University, 5-9-1, Shirokane, Minato-ku, Tokyo 108-8641, Japan; Discovery Research Laboratories, Nippon Chemiphar Co., Ltd., 1-22, Hiko

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2742-2745 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.059
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213900
PNG
(3-[(Z)-benzo[1,2,5]oxadiazol-4-ylimino]-2-thia-4-a...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2nonc12
Show InChI InChI=1S/C17H20N4OS3/c1-24-16(23)21-10-17(8-3-2-4-9-17)11-25-15(21)18-12-6-5-7-13-14(12)20-22-19-13/h5-7H,2-4,8-11H2,1H3/b18-15-
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0.900n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
BindingDB Entry DOI: 10.7270/Q2RX9BR5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50254121
PNG
(CHEMBL4067629)
PDB

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0.953n/an/an/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3495-3498 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.072
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50269053
PNG
((5-(1-isopropylpiperidin-4-yloxy)-1-(2,2,2-trifluo...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(CC(F)(F)F)c(cc2c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C23H30F3N3O3/c1-16(2)27-7-5-18(6-8-27)32-19-3-4-20-17(13-19)14-21(29(20)15-23(24,25)26)22(30)28-9-11-31-12-10-28/h3-4,13-14,16,18H,5-12,15H2,1-2H3
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1n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50268293
PNG
((5-(1-cyclobutylpiperidin-4-yloxy)-1-(2,2,2-triflu...)
Show SMILES FC(F)(F)Cn1c(cc2cc(OC3CCN(CC3)C3CCC3)ccc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C24H30F3N3O3/c25-24(26,27)16-30-21-5-4-20(33-19-6-8-28(9-7-19)18-2-1-3-18)14-17(21)15-22(30)23(31)29-10-12-32-13-11-29/h4-5,14-15,18-19H,1-3,6-13,16H2
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1n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
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