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Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'harada' and Initial = 'y'   
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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50274347
PNG
((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...)
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\c1ccoc1 |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)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1
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 0.178n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum after 1 hr by liquid scintillation counting analysis

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50424111
PNG
(CHEMBL2315360)
Show SMILES CCCN1CC[C@H]2c3c(C[C@@H]1[C@]2(O)CCCN(C)C(=O)\C=C\c1ccoc1)ccc(O)c3O |r|
Show InChI InChI=1S/C26H34N2O5/c1-3-12-28-14-9-20-24-19(6-7-21(29)25(24)31)16-22(28)26(20,32)11-4-13-27(2)23(30)8-5-18-10-15-33-17-18/h5-8,10,15,17,20,22,29,31-32H,3-4,9,11-14,16H2,1-2H3/b8-5+/t20-,22+,26-/m0/s1
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 0.328n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum after 1 hr by liquid scintillation counting analysis

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50274347
PNG
((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...)
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\c1ccoc1 |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)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1
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 0.431n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting analy...

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50424109
PNG
(CHEMBL2315358)
Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CCF)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C25H31FN2O5/c1-27(22(30)6-3-17-8-14-33-16-17)11-2-9-25(32)19-7-12-28(13-10-26)21(25)15-18-4-5-20(29)24(31)23(18)19/h3-6,8,14,16,19,21,29,31-32H,2,7,9-13,15H2,1H3/b6-3+/t19-,21+,25-/m0/s1
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 0.507n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum after 1 hr by liquid scintillation counting analysis

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50424110
PNG
(CHEMBL2315359)
Show SMILES CC(C)CN1CC[C@H]2c3c(C[C@@H]1[C@]2(O)CCCN(C)C(=O)\C=C\c1ccoc1)ccc(O)c3O |r|
Show InChI InChI=1S/C27H36N2O5/c1-18(2)16-29-13-9-21-25-20(6-7-22(30)26(25)32)15-23(29)27(21,33)11-4-12-28(3)24(31)8-5-19-10-14-34-17-19/h5-8,10,14,17-18,21,23,30,32-33H,4,9,11-13,15-16H2,1-3H3/b8-5+/t21-,23+,27-/m0/s1
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 0.590n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum after 1 hr by liquid scintillation counting analysis

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50424112
PNG
(CHEMBL2315361)
Show SMILES CCN1CC[C@H]2c3c(C[C@@H]1[C@]2(O)CCCN(C)C(=O)\C=C\c1ccoc1)ccc(O)c3O |r|
Show InChI InChI=1S/C25H32N2O5/c1-3-27-13-9-19-23-18(6-7-20(28)24(23)30)15-21(27)25(19,31)11-4-12-26(2)22(29)8-5-17-10-14-32-16-17/h5-8,10,14,16,19,21,28,30-31H,3-4,9,11-13,15H2,1-2H3/b8-5+/t19-,21+,25-/m0/s1
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 0.625n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum after 1 hr by liquid scintillation counting analysis

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50424113
PNG
(CHEMBL2315362)
Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2C)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C24H30N2O5/c1-25-12-8-18-22-17(5-6-19(27)23(22)29)14-20(25)24(18,30)10-3-11-26(2)21(28)7-4-16-9-13-31-15-16/h4-7,9,13,15,18,20,27,29-30H,3,8,10-12,14H2,1-2H3/b7-4+/t18-,20+,24-/m0/s1
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 0.735n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum after 1 hr by liquid scintillation counting analysis

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
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 1.40n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum after 1 hr by liquid scintillation counting analysis

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50424108
PNG
(CHEMBL2315357)
Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CC(F)F)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C25H30F2N2O5/c1-28(22(31)6-3-16-8-12-34-15-16)10-2-9-25(33)18-7-11-29(14-21(26)27)20(25)13-17-4-5-19(30)24(32)23(17)18/h3-6,8,12,15,18,20-21,30,32-33H,2,7,9-11,13-14H2,1H3/b6-3+/t18-,20+,25-/m0/s1
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 2.20n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum after 1 hr by liquid scintillation counting analysis

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50424113
PNG
(CHEMBL2315362)
Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2C)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C24H30N2O5/c1-25-12-8-18-22-17(5-6-19(27)23(22)29)14-20(25)24(18,30)10-3-11-26(2)21(28)7-4-16-9-13-31-15-16/h4-7,9,13,15,18,20,27,29-30H,3,8,10-12,14H2,1-2H3/b7-4+/t18-,20+,24-/m0/s1
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 2.80n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting analy...

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50424107
PNG
(CHEMBL2315356)
Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CC(F)(F)F)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C25H29F3N2O5/c1-29(21(32)6-3-16-8-12-35-14-16)10-2-9-24(34)18-7-11-30(15-25(26,27)28)20(24)13-17-4-5-19(31)23(33)22(17)18/h3-6,8,12,14,18,20,31,33-34H,2,7,9-11,13,15H2,1H3/b6-3+/t18-,20+,24-/m0/s1
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 4.60n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum after 1 hr by liquid scintillation counting analysis

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50424109
PNG
(CHEMBL2315358)
Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CCF)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C25H31FN2O5/c1-27(22(30)6-3-17-8-14-33-16-17)11-2-9-25(32)19-7-12-28(13-10-26)21(25)15-18-4-5-20(29)24(31)23(18)19/h3-6,8,14,16,19,21,29,31-32H,2,7,9-13,15H2,1H3/b6-3+/t19-,21+,25-/m0/s1
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 8.40n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting analy...

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50424112
PNG
(CHEMBL2315361)
Show SMILES CCN1CC[C@H]2c3c(C[C@@H]1[C@]2(O)CCCN(C)C(=O)\C=C\c1ccoc1)ccc(O)c3O |r|
Show InChI InChI=1S/C25H32N2O5/c1-3-27-13-9-19-23-18(6-7-20(28)24(23)30)15-21(27)25(19,31)11-4-12-26(2)22(29)8-5-17-10-14-32-16-17/h5-8,10,14,16,19,21,28,30-31H,3-4,9,11-13,15H2,1-2H3/b8-5+/t19-,21+,25-/m0/s1
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 11n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting analy...

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50424111
PNG
(CHEMBL2315360)
Show SMILES CCCN1CC[C@H]2c3c(C[C@@H]1[C@]2(O)CCCN(C)C(=O)\C=C\c1ccoc1)ccc(O)c3O |r|
Show InChI InChI=1S/C26H34N2O5/c1-3-12-28-14-9-20-24-19(6-7-21(29)25(24)31)16-22(28)26(20,32)11-4-13-27(2)23(30)8-5-18-10-15-33-17-18/h5-8,10,15,17,20,22,29,31-32H,3-4,9,11-14,16H2,1-2H3/b8-5+/t20-,22+,26-/m0/s1
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 19n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting analy...

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50424113
PNG
(CHEMBL2315362)
Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2C)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C24H30N2O5/c1-25-12-8-18-22-17(5-6-19(27)23(22)29)14-20(25)24(18,30)10-3-11-26(2)21(28)7-4-16-9-13-31-15-16/h4-7,9,13,15,18,20,27,29-30H,3,8,10-12,14H2,1-2H3/b7-4+/t18-,20+,24-/m0/s1
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 36n/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 membranes without cerebellum after 1 hr by liquid scintillation counting an...

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50424110
PNG
(CHEMBL2315359)
Show SMILES CC(C)CN1CC[C@H]2c3c(C[C@@H]1[C@]2(O)CCCN(C)C(=O)\C=C\c1ccoc1)ccc(O)c3O |r|
Show InChI InChI=1S/C27H36N2O5/c1-18(2)16-29-13-9-21-25-20(6-7-22(30)26(25)32)15-23(29)27(21,33)11-4-12-28(3)24(31)8-5-19-10-14-34-17-19/h5-8,10,14,17-18,21,23,30,32-33H,4,9,11-13,15-16H2,1-3H3/b8-5+/t21-,23+,27-/m0/s1
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 46n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting analy...

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50274347
PNG
((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...)
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\c1ccoc1 |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)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1
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 51n/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 membranes without cerebellum after 1 hr by liquid scintillation counting an...

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50424111
PNG
(CHEMBL2315360)
Show SMILES CCCN1CC[C@H]2c3c(C[C@@H]1[C@]2(O)CCCN(C)C(=O)\C=C\c1ccoc1)ccc(O)c3O |r|
Show InChI InChI=1S/C26H34N2O5/c1-3-12-28-14-9-20-24-19(6-7-21(29)25(24)31)16-22(28)26(20,32)11-4-13-27(2)23(30)8-5-18-10-15-33-17-18/h5-8,10,15,17,20,22,29,31-32H,3-4,9,11-14,16H2,1-2H3/b8-5+/t20-,22+,26-/m0/s1
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 176n/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 membranes without cerebellum after 1 hr by liquid scintillation counting an...

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
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 391n/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 membranes without cerebellum after 1 hr by liquid scintillation counting an...

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50424112
PNG
(CHEMBL2315361)
Show SMILES CCN1CC[C@H]2c3c(C[C@@H]1[C@]2(O)CCCN(C)C(=O)\C=C\c1ccoc1)ccc(O)c3O |r|
Show InChI InChI=1S/C25H32N2O5/c1-3-27-13-9-19-23-18(6-7-20(28)24(23)30)15-21(27)25(19,31)11-4-12-26(2)22(29)8-5-17-10-14-32-16-17/h5-8,10,14,16,19,21,28,30-31H,3-4,9,11-13,15H2,1-2H3/b8-5+/t19-,21+,25-/m0/s1
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 512n/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 membranes without cerebellum after 1 hr by liquid scintillation counting an...

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50424110
PNG
(CHEMBL2315359)
Show SMILES CC(C)CN1CC[C@H]2c3c(C[C@@H]1[C@]2(O)CCCN(C)C(=O)\C=C\c1ccoc1)ccc(O)c3O |r|
Show InChI InChI=1S/C27H36N2O5/c1-18(2)16-29-13-9-21-25-20(6-7-22(30)26(25)32)15-23(29)27(21,33)11-4-12-28(3)24(31)8-5-19-10-14-34-17-19/h5-8,10,14,17-18,21,23,30,32-33H,4,9,11-13,15-16H2,1-3H3/b8-5+/t21-,23+,27-/m0/s1
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 514n/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 membranes without cerebellum after 1 hr by liquid scintillation counting an...

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
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 548n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting analy...

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50424109
PNG
(CHEMBL2315358)
Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CCF)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C25H31FN2O5/c1-27(22(30)6-3-17-8-14-33-16-17)11-2-9-25(32)19-7-12-28(13-10-26)21(25)15-18-4-5-20(29)24(31)23(18)19/h3-6,8,14,16,19,21,29,31-32H,2,7,9-13,15H2,1H3/b6-3+/t19-,21+,25-/m0/s1
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>1.00E+3n/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 membranes without cerebellum after 1 hr by liquid scintillation counting an...

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50424108
PNG
(CHEMBL2315357)
Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CC(F)F)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C25H30F2N2O5/c1-28(22(31)6-3-16-8-12-34-15-16)10-2-9-25(33)18-7-11-29(14-21(26)27)20(25)13-17-4-5-19(30)24(32)23(17)18/h3-6,8,12,15,18,20-21,30,32-33H,2,7,9-11,13-14H2,1H3/b6-3+/t18-,20+,25-/m0/s1
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>1.00E+3n/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 membranes without cerebellum after 1 hr by liquid scintillation counting an...

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50424108
PNG
(CHEMBL2315357)
Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CC(F)F)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C25H30F2N2O5/c1-28(22(31)6-3-16-8-12-34-15-16)10-2-9-25(33)18-7-11-29(14-21(26)27)20(25)13-17-4-5-19(30)24(32)23(17)18/h3-6,8,12,15,18,20-21,30,32-33H,2,7,9-11,13-14H2,1H3/b6-3+/t18-,20+,25-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting analy...

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50424107
PNG
(CHEMBL2315356)
Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CC(F)(F)F)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C25H29F3N2O5/c1-29(21(32)6-3-16-8-12-35-14-16)10-2-9-24(34)18-7-11-30(15-25(26,27)28)20(24)13-17-4-5-19(31)23(33)22(17)18/h3-6,8,12,14,18,20,31,33-34H,2,7,9-11,13,15H2,1H3/b6-3+/t18-,20+,24-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting analy...

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50424107
PNG
(CHEMBL2315356)
Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CC(F)(F)F)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C25H29F3N2O5/c1-29(21(32)6-3-16-8-12-35-14-16)10-2-9-24(34)18-7-11-30(15-25(26,27)28)20(24)13-17-4-5-19(31)23(33)22(17)18/h3-6,8,12,14,18,20,31,33-34H,2,7,9-11,13,15H2,1H3/b6-3+/t18-,20+,24-/m0/s1
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>1.00E+3n/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 membranes without cerebellum after 1 hr by liquid scintillation counting an...

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50052738
PNG
((2R,3R,4R,5R,6R,7R)-2,7-Dibenzyl-1,1-dioxo-3,6-bis...)
Show SMILES O[C@@H]1[C@@H](O)[C@@H](OCc2cncs2)[C@@H](Cc2ccccc2)S(=O)(=O)[C@H](Cc2ccccc2)[C@@H]1OCc1cncs1
Show InChI InChI=1S/C28H30N2O6S3/c31-25-26(32)28(36-16-22-14-30-18-38-22)24(12-20-9-5-2-6-10-20)39(33,34)23(11-19-7-3-1-4-8-19)27(25)35-15-21-13-29-17-37-21/h1-10,13-14,17-18,23-28,31-32H,11-12,15-16H2/t23-,24-,25-,26-,27+,28+/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Gilead Sciences Inc.

Curated by ChEMBL


Assay Description
Concentration needed to inhibit HIV- protease activity by 50%.

J Med Chem 39: 3431-4 (1996)


Article DOI: 10.1021/jm960340o
BindingDB Entry DOI: 10.7270/Q22N51DG
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50052740
PNG
((2R,3R,4R,5R,6R,7R)-2,7-Dibenzyl-3,6-bis-benzyloxy...)
Show SMILES O[C@@H]1[C@@H](O)[C@@H](OCc2ccccc2)[C@@H](Cc2ccccc2)S(=O)(=O)[C@H](Cc2ccccc2)[C@@H]1OCc1ccccc1
Show InChI InChI=1S/C34H36O6S/c35-31-32(36)34(40-24-28-19-11-4-12-20-28)30(22-26-15-7-2-8-16-26)41(37,38)29(21-25-13-5-1-6-14-25)33(31)39-23-27-17-9-3-10-18-27/h1-20,29-36H,21-24H2/t29-,30-,31-,32-,33+,34+/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Gilead Sciences Inc.

Curated by ChEMBL


Assay Description
Concentration needed to inhibit HIV- protease activity by 50%.

J Med Chem 39: 3431-4 (1996)


Article DOI: 10.1021/jm960340o
BindingDB Entry DOI: 10.7270/Q22N51DG
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50052739
PNG
((2R,3R,4R,5R,6R,7R)-3,6-Bis-(3-amino-benzyloxy)-2,...)
Show SMILES Nc1cccc(CO[C@@H]2[C@H](O)[C@@H](O)[C@@H](OCc3cccc(N)c3)[C@@H](Cc3ccccc3)S(=O)(=O)[C@@H]2Cc2ccccc2)c1
Show InChI InChI=1S/C34H38N2O6S/c35-27-15-7-13-25(17-27)21-41-33-29(19-23-9-3-1-4-10-23)43(39,40)30(20-24-11-5-2-6-12-24)34(32(38)31(33)37)42-22-26-14-8-16-28(36)18-26/h1-18,29-34,37-38H,19-22,35-36H2/t29-,30-,31-,32-,33+,34+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Gilead Sciences Inc.

Curated by ChEMBL


Assay Description
Concentration needed to inhibit HIV- protease activity by 50%.

J Med Chem 39: 3431-4 (1996)


Article DOI: 10.1021/jm960340o
BindingDB Entry DOI: 10.7270/Q22N51DG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50424112
PNG
(CHEMBL2315361)
Show SMILES CCN1CC[C@H]2c3c(C[C@@H]1[C@]2(O)CCCN(C)C(=O)\C=C\c1ccoc1)ccc(O)c3O |r|
Show InChI InChI=1S/C25H32N2O5/c1-3-27-13-9-19-23-18(6-7-20(28)24(23)30)15-21(27)25(19,31)11-4-12-26(2)22(29)8-5-17-10-14-32-16-17/h5-8,10,14,16,19,21,28,30-31H,3-4,9,11-13,15H2,1-2H3/b8-5+/t19-,21+,25-/m0/s1
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n/an/an/an/a 3.80n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by [35S]-GTPgammaS binding assay

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50424111
PNG
(CHEMBL2315360)
Show SMILES CCCN1CC[C@H]2c3c(C[C@@H]1[C@]2(O)CCCN(C)C(=O)\C=C\c1ccoc1)ccc(O)c3O |r|
Show InChI InChI=1S/C26H34N2O5/c1-3-12-28-14-9-20-24-19(6-7-21(29)25(24)31)16-22(28)26(20,32)11-4-13-27(2)23(30)8-5-18-10-15-33-17-18/h5-8,10,15,17,20,22,29,31-32H,3-4,9,11-14,16H2,1-2H3/b8-5+/t20-,22+,26-/m0/s1
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n/an/an/an/a 2.70n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by [35S]-GTPgammaS binding assay

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50424110
PNG
(CHEMBL2315359)
Show SMILES CC(C)CN1CC[C@H]2c3c(C[C@@H]1[C@]2(O)CCCN(C)C(=O)\C=C\c1ccoc1)ccc(O)c3O |r|
Show InChI InChI=1S/C27H36N2O5/c1-18(2)16-29-13-9-21-25-20(6-7-22(30)26(25)32)15-23(29)27(21,33)11-4-12-28(3)24(31)8-5-19-10-14-34-17-19/h5-8,10,14,17-18,21,23,30,32-33H,4,9,11-13,15-16H2,1-3H3/b8-5+/t21-,23+,27-/m0/s1
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n/an/an/an/a 8.10n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by [35S]-GTPgammaS binding assay

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50424109
PNG
(CHEMBL2315358)
Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CCF)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C25H31FN2O5/c1-27(22(30)6-3-17-8-14-33-16-17)11-2-9-25(32)19-7-12-28(13-10-26)21(25)15-18-4-5-20(29)24(31)23(18)19/h3-6,8,14,16,19,21,29,31-32H,2,7,9-13,15H2,1H3/b6-3+/t19-,21+,25-/m0/s1
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n/an/an/an/a 2.20n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by [35S]-GTPgammaS binding assay

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50424108
PNG
(CHEMBL2315357)
Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CC(F)F)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C25H30F2N2O5/c1-28(22(31)6-3-16-8-12-34-15-16)10-2-9-25(33)18-7-11-29(14-21(26)27)20(25)13-17-4-5-19(30)24(32)23(17)18/h3-6,8,12,15,18,20-21,30,32-33H,2,7,9-11,13-14H2,1H3/b6-3+/t18-,20+,25-/m0/s1
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n/an/an/an/a 22n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by [35S]-GTPgammaS binding assay

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50424107
PNG
(CHEMBL2315356)
Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2CC(F)(F)F)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C25H29F3N2O5/c1-29(21(32)6-3-16-8-12-35-14-16)10-2-9-24(34)18-7-11-30(15-25(26,27)28)20(24)13-17-4-5-19(31)23(33)22(17)18/h3-6,8,12,14,18,20,31,33-34H,2,7,9-11,13,15H2,1H3/b6-3+/t18-,20+,24-/m0/s1
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n/an/an/an/a 32n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by [35S]-GTPgammaS binding assay

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50200182
PNG
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r|
Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1
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n/an/an/an/a 0.0260n/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Transactivation of VDR-mediated osteocalcin promoter in human HOS/SF cells after 24 hrs by luciferase reporter gene assay

ACS Med Chem Lett 4: 671-4 (2013)


Article DOI: 10.1021/ml400098w
BindingDB Entry DOI: 10.7270/Q2959JX8
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50437333
PNG
(CHEMBL2407826)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](CCn2ccnc2)[C@H](O)C1=C |r|
Show InChI InChI=1S/C32H50N2O3/c1-22(8-6-15-31(3,4)37)27-12-13-28-24(9-7-16-32(27,28)5)10-11-25-20-29(35)26(30(36)23(25)2)14-18-34-19-17-33-21-34/h10-11,17,19,21-22,26-30,35-37H,2,6-9,12-16,18,20H2,1,3-5H3/b24-10+,25-11-/t22-,26+,27-,28+,29-,30-,32-/m1/s1
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n/an/an/an/a 0.680n/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Transactivation of VDR-mediated osteocalcin promoter in human HOS/SF cells after 24 hrs by luciferase reporter gene assay

ACS Med Chem Lett 4: 671-4 (2013)


Article DOI: 10.1021/ml400098w
BindingDB Entry DOI: 10.7270/Q2959JX8
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50437334
PNG
(CHEMBL2407825)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](CCn2ccnn2)[C@H](O)C1=C |r|
Show InChI InChI=1S/C31H49N3O3/c1-21(8-6-15-30(3,4)37)26-12-13-27-23(9-7-16-31(26,27)5)10-11-24-20-28(35)25(29(36)22(24)2)14-18-34-19-17-32-33-34/h10-11,17,19,21,25-29,35-37H,2,6-9,12-16,18,20H2,1,3-5H3/b23-10+,24-11-/t21-,25+,26-,27+,28-,29-,31-/m1/s1
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n/an/an/an/a 0.210n/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Transactivation of VDR-mediated osteocalcin promoter in human HOS/SF cells after 24 hrs by luciferase reporter gene assay

ACS Med Chem Lett 4: 671-4 (2013)


Article DOI: 10.1021/ml400098w
BindingDB Entry DOI: 10.7270/Q2959JX8
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50437335
PNG
(CHEMBL2407824)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](CCn2nccn2)[C@H](O)C1=C |r|
Show InChI InChI=1S/C31H49N3O3/c1-21(8-6-15-30(3,4)37)26-12-13-27-23(9-7-16-31(26,27)5)10-11-24-20-28(35)25(29(36)22(24)2)14-19-34-32-17-18-33-34/h10-11,17-18,21,25-29,35-37H,2,6-9,12-16,19-20H2,1,3-5H3/b23-10+,24-11-/t21-,25+,26-,27+,28-,29-,31-/m1/s1
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n/an/an/an/a 0.0440n/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Transactivation of VDR-mediated osteocalcin promoter in human HOS/SF cells after 24 hrs by luciferase reporter gene assay

ACS Med Chem Lett 4: 671-4 (2013)


Article DOI: 10.1021/ml400098w
BindingDB Entry DOI: 10.7270/Q2959JX8
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50437336
PNG
(CHEMBL2407823)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](CCn2cncn2)[C@H](O)C1=C |r|
Show InChI InChI=1S/C31H49N3O3/c1-21(8-6-15-30(3,4)37)26-12-13-27-23(9-7-16-31(26,27)5)10-11-24-18-28(35)25(29(36)22(24)2)14-17-34-20-32-19-33-34/h10-11,19-21,25-29,35-37H,2,6-9,12-18H2,1,3-5H3/b23-10+,24-11-/t21-,25+,26-,27+,28-,29-,31-/m1/s1
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n/an/an/an/a 0.150n/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Transactivation of VDR-mediated osteocalcin promoter in human HOS/SF cells after 24 hrs by luciferase reporter gene assay

ACS Med Chem Lett 4: 671-4 (2013)


Article DOI: 10.1021/ml400098w
BindingDB Entry DOI: 10.7270/Q2959JX8
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50437337
PNG
(CHEMBL2407822)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](CCn2cnnn2)[C@H](O)C1=C |r|
Show InChI InChI=1S/C30H48N4O3/c1-20(8-6-15-29(3,4)37)25-12-13-26-22(9-7-16-30(25,26)5)10-11-23-18-27(35)24(28(36)21(23)2)14-17-34-19-31-32-33-34/h10-11,19-20,24-28,35-37H,2,6-9,12-18H2,1,3-5H3/b22-10+,23-11-/t20-,24+,25-,26+,27-,28-,30-/m1/s1
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n/an/an/an/a 0.290n/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Transactivation of VDR-mediated osteocalcin promoter in human HOS/SF cells after 24 hrs by luciferase reporter gene assay

ACS Med Chem Lett 4: 671-4 (2013)


Article DOI: 10.1021/ml400098w
BindingDB Entry DOI: 10.7270/Q2959JX8
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))		BDBM50437338
PNG
(CHEMBL2407821)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](CCn2ncnn2)[C@H](O)C1=C |r|
Show InChI InChI=1S/C30H48N4O3/c1-20(8-6-15-29(3,4)37)25-12-13-26-22(9-7-16-30(25,26)5)10-11-23-18-27(35)24(28(36)21(23)2)14-17-34-32-19-31-33-34/h10-11,19-20,24-28,35-37H,2,6-9,12-18H2,1,3-5H3/b22-10+,23-11-/t20-,24+,25-,26+,27-,28-,30-/m1/s1
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n/an/an/an/a 0.0100n/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Transactivation of VDR-mediated osteocalcin promoter in human HOS/SF cells after 24 hrs by luciferase reporter gene assay

ACS Med Chem Lett 4: 671-4 (2013)


Article DOI: 10.1021/ml400098w
BindingDB Entry DOI: 10.7270/Q2959JX8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50274347
PNG
((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...)
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\c1ccoc1 |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)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1
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n/an/an/an/a 0.0500n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by [35S]-GTPgammaS binding assay

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
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n/an/an/an/a 28n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by [35S]-GTPgammaS binding assay

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50424113
PNG
(CHEMBL2315362)
Show SMILES CN(CCC[C@@]1(O)[C@H]2Cc3ccc(O)c(O)c3[C@@H]1CCN2C)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C24H30N2O5/c1-25-12-8-18-22-17(5-6-19(27)23(22)29)14-20(25)24(18,30)10-3-11-26(2)21(28)7-4-16-9-13-31-15-16/h4-7,9,13,15,18,20,27,29-30H,3,8,10-12,14H2,1-2H3/b7-4+/t18-,20+,24-/m0/s1
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n/an/an/an/a 11n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by [35S]-GTPgammaS binding assay

Bioorg Med Chem Lett 23: 268-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.100
BindingDB Entry DOI: 10.7270/Q2348MPC
More data for this
Ligand-Target Pair