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Compile Data Set for Download or QSAR

Found 4826 hits with Last Name = 'hayashi' and Initial = 'k'   
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
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
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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50274257
PNG
((2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-...)
Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccco1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19|
Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)9-7-19-3-2-14-34-19)20-10-11-28(33)22-15-18-6-8-21(31)25-24(18)27(28,26(20)35-25)12-13-30(22)16-17-4-5-17/h2-3,6-9,14,17,20,22,26,31,33H,4-5,10-13,15-16H2,1H3/b9-7+/t20-,22-,26+,27+,28-/m1/s1
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0.225n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from guinea pig cerebellum kappa opioid receptor


Bioorg Med Chem Lett 20: 121-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.027
BindingDB Entry DOI: 10.7270/Q2GX4CJH
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
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031962
PNG
(3-(5,7-Dimethyl-2-propyl-imidazo[4,5-b]pyridin-3-y...)
Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1
Show InChI InChI=1S/C28H25N7O/c1-4-7-24-30-25-16(2)12-17(3)29-28(25)35(24)15-18-10-11-21-22(13-18)26(36)20-9-6-5-8-19(20)14-23(21)27-31-33-34-32-27/h5-6,8-14H,4,7,15H2,1-3H3,(H,31,32,33,34)
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0.290n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
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
Delta-type opioid receptor


(MOUSE)
BDBM50010652
PNG
(CHEMBL3264742)
Show SMILES [H][C@]12O[C@]34CC[C@@]5(OCOc6c(O)ccc7C[C@@]3([H])N(CC3CC3)CC[C@]4(c67)[C@]15[H])N(Cc1ccccc1)C2=O |r,TLB:20:19:3:27.15.16,THB:7:6:26:1.2|
Show InChI InChI=1S/C30H32N2O5/c33-21-9-8-20-14-22-29-10-11-30-26(25(37-29)27(34)32(30)16-18-4-2-1-3-5-18)28(29,23(20)24(21)35-17-36-30)12-13-31(22)15-19-6-7-19/h1-5,8-9,19,22,25-26,33H,6-7,10-17H2/t22-,25+,26+,28+,29-,30+/m1/s1
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0.313n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain cerebellum membrane


ACS Med Chem Lett 5: 368-72 (2014)


Article DOI: 10.1021/ml400491k
BindingDB Entry DOI: 10.7270/Q2GF0W23
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
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031954
PNG
(3-(2-Cyclopropyl-5,7-dimethyl-imidazo[4,5-b]pyridi...)
Show SMILES Cc1cc(C)c2nc(C3CC3)n(Cc3ccc4c(cc5ccccc5c(=O)c4c3)-c3nnn[nH]3)c2n1
Show InChI InChI=1S/C28H23N7O/c1-15-11-16(2)29-28-24(15)30-27(18-8-9-18)35(28)14-17-7-10-21-22(12-17)25(36)20-6-4-3-5-19(20)13-23(21)26-31-33-34-32-26/h3-7,10-13,18H,8-9,14H2,1-2H3,(H,31,32,33,34)
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0.450n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
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


(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
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
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
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031953
PNG
(3-(2-Ethyl-6-methoxy-[1,5]naphthyridin-4-yloxymeth...)
Show SMILES CCc1cc(OCc2ccc3c(cc4ccccc4c(=O)c3c2)-c2nnn[nH]2)c2nc(OC)ccc2n1
Show InChI InChI=1S/C28H22N6O3/c1-3-18-14-24(26-23(29-18)10-11-25(30-26)36-2)37-15-16-8-9-20-21(12-16)27(35)19-7-5-4-6-17(19)13-22(20)28-31-33-34-32-28/h4-14H,3,15H2,1-2H3,(H,31,32,33,34)
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0.480n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031957
PNG
(5,7-Dimethyl-2-propyl-3-[11-(1H-tetrazol-5-yl)-5H-...)
Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(Cc3ccccc3C=C2c2nnn[nH]2)c1 |c:30|
Show InChI InChI=1S/C28H27N7/c1-4-7-25-30-26-17(2)12-18(3)29-28(26)35(25)16-19-10-11-23-22(13-19)14-20-8-5-6-9-21(20)15-24(23)27-31-33-34-32-27/h5-6,8-13,15H,4,7,14,16H2,1-3H3,(H,31,32,33,34)
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0.490n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
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
Delta-type opioid receptor


(MOUSE)
BDBM50010658
PNG
(CHEMBL3264747)
Show SMILES [H][C@]12O[C@]34CC[C@@]5(OCOc6c(O)ccc7C[C@@]3([H])N(CC3CC3)CC[C@]4(c67)[C@]15[H])N(C2=O)c1ccccc1 |r,TLB:20:19:3:27.15.16,THB:7:6:26:1.2|
Show InChI InChI=1S/C29H30N2O5/c32-20-9-8-18-14-21-28-10-11-29-25(24(36-28)26(33)31(29)19-4-2-1-3-5-19)27(28,22(18)23(20)34-16-35-29)12-13-30(21)15-17-6-7-17/h1-5,8-9,17,21,24-25,32H,6-7,10-16H2/t21-,24+,25+,27+,28-,29+/m1/s1
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0.534n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain cerebellum membrane


ACS Med Chem Lett 5: 368-72 (2014)


Article DOI: 10.1021/ml400491k
BindingDB Entry DOI: 10.7270/Q2GF0W23
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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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
Mu-type opioid receptor


(GUINEA PIG)
BDBM50274257
PNG
((2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-...)
Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccco1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19|
Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)9-7-19-3-2-14-34-19)20-10-11-28(33)22-15-18-6-8-21(31)25-24(18)27(28,26(20)35-25)12-13-30(22)16-17-4-5-17/h2-3,6-9,14,17,20,22,26,31,33H,4-5,10-13,15-16H2,1H3/b9-7+/t20-,22-,26+,27+,28-/m1/s1
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0.582n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from guinea pig forebrain mu opioid receptor


Bioorg Med Chem Lett 20: 121-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.027
BindingDB Entry DOI: 10.7270/Q2GX4CJH
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
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
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031960
PNG
(3-(2-Ethyl-quinolin-4-yloxymethyl)-11-(1H-tetrazol...)
Show SMILES CCc1cc(OCc2ccc3c(cc4ccccc4c(=O)c3c2)-c2nnn[nH]2)c2ccccc2n1
Show InChI InChI=1S/C28H21N5O2/c1-2-19-15-26(22-9-5-6-10-25(22)29-19)35-16-17-11-12-21-23(13-17)27(34)20-8-4-3-7-18(20)14-24(21)28-30-32-33-31-28/h3-15H,2,16H2,1H3,(H,30,31,32,33)
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0.650n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
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
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031961
PNG
(3-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-yl...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1
Show InChI InChI=1S/C27H23N7O/c1-4-23-29-24-15(2)11-16(3)28-27(24)34(23)14-17-9-10-20-21(12-17)25(35)19-8-6-5-7-18(19)13-22(20)26-30-32-33-31-26/h5-13H,4,14H2,1-3H3,(H,30,31,32,33)
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0.660n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031955
PNG
(5,7-Dimethyl-2-propyl-3-[11-(1H-tetrazol-5-yl)-dib...)
Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(Oc3ccccc3C=C2c2nnn[nH]2)c1 |c:30|
Show InChI InChI=1S/C27H25N7O/c1-4-7-24-29-25-16(2)12-17(3)28-27(25)34(24)15-18-10-11-20-21(26-30-32-33-31-26)14-19-8-5-6-9-22(19)35-23(20)13-18/h5-6,8-14H,4,7,15H2,1-3H3,(H,30,31,32,33)
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0.700n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
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 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 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
Delta-type opioid receptor


(MOUSE)
BDBM50039029
PNG
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
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1n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain cerebellum membrane


ACS Med Chem Lett 5: 368-72 (2014)


Article DOI: 10.1021/ml400491k
BindingDB Entry DOI: 10.7270/Q2GF0W23
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031964
PNG
(3-[(5-Ethyl-pyrazolo[1,5-a]pyrimidin-7-ylamino)-me...)
Show SMILES CCc1cc(NCc2ccc3c(cc4ccccc4c(=O)c3c2)-c2nnn[nH]2)n2nccc2n1
Show InChI InChI=1S/C25H20N8O/c1-2-17-13-23(33-22(28-17)9-10-27-33)26-14-15-7-8-19-20(11-15)24(34)18-6-4-3-5-16(18)12-21(19)25-29-31-32-30-25/h3-13,26H,2,14H2,1H3,(H,29,30,31,32)
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1.10n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
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