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Compile Data Set for Download or QSAR

Found 499 hits with Last Name = 'streicher' and Initial = 'jm'   
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


(Homo sapiens (Human))
BDBM50545673
PNG
(CHEMBL4634079)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-n1cccc1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C36H37N3O3/c40-29-13-12-26-20-30-36(41-18-6-9-24-7-2-1-3-8-24)21-27-19-28(38-15-4-5-16-38)22-37-32(27)34-35(36,31(26)33(29)42-34)14-17-39(30)23-25-10-11-25/h1-5,7-8,12-13,15-16,19,22,25,30,34,40H,6,9-11,14,17-18,20-21,23H2/t30-,34+,35+,36-/m1/s1
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<0.169n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human delta opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bin...


J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50545677
PNG
(CHEMBL4645508)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccnc(C)c1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C38H39N3O3/c1-24-18-27(13-15-39-24)30-19-29-21-38(43-17-5-8-25-6-3-2-4-7-25)32-20-28-11-12-31(42)35-33(28)37(38,36(44-35)34(29)40-22-30)14-16-41(32)23-26-9-10-26/h2-4,6-7,11-13,15,18-19,22,26,32,36,42H,5,8-10,14,16-17,20-21,23H2,1H3/t32-,36+,37+,38-/m1/s1
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<0.510n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bin...


J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50595851
PNG
(CHEMBL5192735)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|
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0.920n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50545677
PNG
(CHEMBL4645508)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccnc(C)c1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C38H39N3O3/c1-24-18-27(13-15-39-24)30-19-29-21-38(43-17-5-8-25-6-3-2-4-7-25)32-20-28-11-12-31(42)35-33(28)37(38,36(44-35)34(29)40-22-30)14-16-41(32)23-26-9-10-26/h2-4,6-7,11-13,15,18-19,22,26,32,36,42H,5,8-10,14,16-17,20-21,23H2,1H3/t32-,36+,37+,38-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human mu opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bindin...


J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50595850
PNG
(CHEMBL5188021)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50595847
PNG
(CHEMBL5199097)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1cccc(F)c1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|
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1.30n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50399881
PNG
(CHEMBL2180639)
Show SMILES Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1
Show InChI InChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2
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1.90n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398760
PNG
(CHEMBL2179652)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OCCCc1ccccc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C38H37ClN2O3/c39-30-13-10-26(11-14-30)29-19-28-21-38(43-18-4-7-24-5-2-1-3-6-24)32-20-27-12-15-31(42)35-33(27)37(38,36(44-35)34(28)40-22-29)16-17-41(32)23-25-8-9-25/h1-3,5-6,10-15,19,22,25,32,36,42H,4,7-9,16-18,20-21,23H2/t32-,36+,37+,38-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human delta opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bin...


J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50545658
PNG
(CHEMBL4644543)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccc(F)cc1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C38H37FN2O3/c39-30-13-10-26(11-14-30)29-19-28-21-38(43-18-4-7-24-5-2-1-3-6-24)32-20-27-12-15-31(42)35-33(27)37(38,36(44-35)34(28)40-22-29)16-17-41(32)23-25-8-9-25/h1-3,5-6,10-15,19,22,25,32,36,42H,4,7-9,16-18,20-21,23H2/t32-,36+,37+,38-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human mu opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bindin...


J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50595846
PNG
(CHEMBL5183917)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50362540
PNG
(CHEMBL1941031)
Show SMILES CCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r|
Show InChI InChI=1S/C24H32O8/c1-5-29-13-31-17-10-16(21(26)28-4)23(2)8-6-15-22(27)32-18(14-7-9-30-12-14)11-24(15,3)20(23)19(17)25/h7,9,12,15-18,20H,5-6,8,10-11,13H2,1-4H3/t15-,16-,17-,18+,20-,23-,24-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human KOPR expressed in CHO cells


Bioorg Med Chem Lett 22: 1023-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.128
BindingDB Entry DOI: 10.7270/Q2S182X2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human KOPR expressed in CHO cells


Bioorg Med Chem Lett 22: 1023-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.128
BindingDB Entry DOI: 10.7270/Q2S182X2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50595852
PNG
(CHEMBL5194818)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1cccc(F)c1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50595849
PNG
(CHEMBL5169404)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50545685
PNG
(CHEMBL4646678)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1nnc(C)o1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C35H36N4O4/c1-21-37-38-33(42-21)26-16-25-18-35(41-15-5-8-22-6-3-2-4-7-22)28-17-24-11-12-27(40)31-29(24)34(35,32(43-31)30(25)36-19-26)13-14-39(28)20-23-9-10-23/h2-4,6-7,11-12,16,19,23,28,32,40H,5,8-10,13-15,17-18,20H2,1H3/t28-,32+,34+,35-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human mu opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bindin...


J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50545658
PNG
(CHEMBL4644543)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccc(F)cc1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C38H37FN2O3/c39-30-13-10-26(11-14-30)29-19-28-21-38(43-18-4-7-24-5-2-1-3-6-24)32-20-27-12-15-31(42)35-33(27)37(38,36(44-35)34(28)40-22-29)16-17-41(32)23-25-8-9-25/h1-3,5-6,10-15,19,22,25,32,36,42H,4,7-9,16-18,20-21,23H2/t32-,36+,37+,38-/m1/s1
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3.40n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human delta opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bin...


J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50545678
PNG
(CHEMBL4636598)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccnc(OC)c1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C38H39N3O4/c1-43-32-20-26(13-15-39-32)29-18-28-21-38(44-17-5-8-24-6-3-2-4-7-24)31-19-27-11-12-30(42)35-33(27)37(38,36(45-35)34(28)40-22-29)14-16-41(31)23-25-9-10-25/h2-4,6-7,11-13,15,18,20,22,25,31,36,42H,5,8-10,14,16-17,19,21,23H2,1H3/t31-,36+,37+,38-/m1/s1
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3.5n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human delta opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bin...


J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50595853
PNG
(CHEMBL5177451)
Show SMILES CCCC[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|
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3.60n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50545690
PNG
(CHEMBL4644964)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccccc1)OCCCc1ccncc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C37H37N3O3/c41-30-11-10-27-20-31-37(42-18-4-5-24-12-15-38-16-13-24)21-28-19-29(26-6-2-1-3-7-26)22-39-33(28)35-36(37,32(27)34(30)43-35)14-17-40(31)23-25-8-9-25/h1-3,6-7,10-13,15-16,19,22,25,31,35,41H,4-5,8-9,14,17-18,20-21,23H2/t31-,35+,36+,37-/m1/s1
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3.80n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human mu opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bindin...


J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50545683
PNG
(CHEMBL4644731)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1cnn(C)c1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C36H38N4O3/c1-39-22-28(20-38-39)27-16-26-18-36(42-15-5-8-23-6-3-2-4-7-23)30-17-25-11-12-29(41)33-31(25)35(36,34(43-33)32(26)37-19-27)13-14-40(30)21-24-9-10-24/h2-4,6-7,11-12,16,19-20,22,24,30,34,41H,5,8-10,13-15,17-18,21H2,1H3/t30-,34+,35+,36-/m1/s1
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3.80n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human mu opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bindin...


J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50545652
PNG
(CHEMBL4638667)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccc(F)cc1C)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:6.5.4|
Show InChI InChI=1S/C39H39FN2O3/c1-24-18-30(40)12-13-31(24)29-19-28-21-39(44-17-5-8-25-6-3-2-4-7-25)33-20-27-11-14-32(43)36-34(27)38(39,37(45-36)35(28)41-22-29)15-16-42(33)23-26-9-10-26/h2-4,6-7,11-14,18-19,22,26,33,37,43H,5,8-10,15-17,20-21,23H2,1H3/t33-,37+,38+,39-/m1/s1
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3.80n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human delta opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bin...


J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50545689
PNG
(CHEMBL4646687)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccccc1)OCCCc1ccccn1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C37H37N3O3/c41-30-14-13-26-20-31-37(42-18-6-10-29-9-4-5-16-38-29)21-27-19-28(25-7-2-1-3-8-25)22-39-33(27)35-36(37,32(26)34(30)43-35)15-17-40(31)23-24-11-12-24/h1-5,7-9,13-14,16,19,22,24,31,35,41H,6,10-12,15,17-18,20-21,23H2/t31-,35+,36+,37-/m1/s1
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4n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human mu opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bindin...


J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50362539
PNG
(CHEMBL1941030)
Show SMILES COCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 |r|
Show InChI InChI=1S/C23H30O8/c1-22-7-5-14-21(26)31-17(13-6-8-29-11-13)10-23(14,2)19(22)18(24)16(30-12-27-3)9-15(22)20(25)28-4/h6,8,11,14-17,19H,5,7,9-10,12H2,1-4H3/t14-,15-,16-,17+,19-,22-,23-/m0/s1
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4.40n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human KOPR expressed in CHO cells


Bioorg Med Chem Lett 22: 1023-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.128
BindingDB Entry DOI: 10.7270/Q2S182X2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50595848
PNG
(CHEMBL5179970)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1F)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|
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4.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00237
BindingDB Entry DOI: 10.7270/Q21Z48F7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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4.5n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human KOPR expressed in CHO cells


Bioorg Med Chem Lett 22: 1023-6 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.128
BindingDB Entry DOI: 10.7270/Q2S182X2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50545668
PNG
(CHEMBL4641271)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccc(cc1)N(C)C)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C40H43N3O3/c1-42(2)32-15-12-28(13-16-32)31-21-30-23-40(45-20-6-9-26-7-4-3-5-8-26)34-22-29-14-17-33(44)37-35(29)39(40,38(46-37)36(30)41-24-31)18-19-43(34)25-27-10-11-27/h3-5,7-8,12-17,21,24,27,34,38,44H,6,9-11,18-20,22-23,25H2,1-2H3/t34-,38+,39+,40-/m1/s1
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4.70n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human mu opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bindin...


J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50526893
PNG
(CHEMBL4586954)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCc2ccccc2CSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O |r|
Show InChI InChI=1S/C54H60F2N10O10S2.2C2HF3O2/c55-37-13-5-33(6-14-37)23-43-53(75)65-66-54(76)44(24-34-7-15-38(56)16-8-34)62-48(70)26-60-52(74)46(64-50(72)42(58)22-32-11-19-40(68)20-12-32)30-78-28-36-4-2-1-3-35(36)27-77-29-45(51(73)59-25-47(69)61-43)63-49(71)41(57)21-31-9-17-39(67)18-10-31;2*3-2(4,5)1(6)7/h1-20,41-46,67-68H,21-30,57-58H2,(H,59,73)(H,60,74)(H,61,69)(H,62,70)(H,63,71)(H,64,72)(H,65,75)(H,66,76);2*(H,6,7)/t41-,42-,43-,44-,45+,46+;;/m0../s1
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4.90n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara "G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human DOR expressed in CHO cell membranes incubated for 1 hr by scintillation counting method


J Med Chem 63: 2673-2687 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50535399
PNG
(CHEMBL4473857)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1C\C=C\C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |r,t:28|
Show InChI InChI=1S/C48H56N10O10.2C2HF3O2/c49-35(23-31-15-19-33(59)20-16-31)43(63)55-37-13-7-8-14-38(56-44(64)36(50)24-32-17-21-34(60)22-18-32)46(66)52-28-42(62)54-40(26-30-11-5-2-6-12-30)48(68)58-57-47(67)39(25-29-9-3-1-4-10-29)53-41(61)27-51-45(37)65;2*3-2(4,5)1(6)7/h1-12,15-22,35-40,59-60H,13-14,23-28,49-50H2,(H,51,65)(H,52,66)(H,53,61)(H,54,62)(H,55,63)(H,56,64)(H,57,67)(H,58,68);2*(H,6,7)/b8-7+;;/t35-,36-,37+,38+,39-,40-;;/m0../s1
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5.20n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara "G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human delta opioid receptor expressed in CHO cell membranes incubated for 1 hr by micro beta2 scintillation c...


ACS Med Chem Lett 10: 450-456 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00495
BindingDB Entry DOI: 10.7270/Q2N58QWM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50545686
PNG
(CHEMBL4635711)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccc(Cl)cc1)OCCCc1ccncc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C37H36ClN3O3/c38-29-8-5-25(6-9-29)28-18-27-20-37(43-17-1-2-23-11-14-39-15-12-23)31-19-26-7-10-30(42)34-32(26)36(37,35(44-34)33(27)40-21-28)13-16-41(31)22-24-3-4-24/h5-12,14-15,18,21,24,31,35,42H,1-4,13,16-17,19-20,22H2/t31-,35+,36+,37-/m1/s1
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5.20n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human delta opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bin...


J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50545680
PNG
(CHEMBL4647357)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1cncnc1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C36H36N4O3/c41-29-11-10-25-16-30-36(42-14-4-7-23-5-2-1-3-6-23)17-26-15-27(28-18-37-22-38-19-28)20-39-32(26)34-35(36,31(25)33(29)43-34)12-13-40(30)21-24-8-9-24/h1-3,5-6,10-11,15,18-20,22,24,30,34,41H,4,7-9,12-14,16-17,21H2/t30-,34+,35+,36-/m1/s1
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5.20n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human delta opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bin...


J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50545689
PNG
(CHEMBL4646687)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccccc1)OCCCc1ccccn1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C37H37N3O3/c41-30-14-13-26-20-31-37(42-18-6-10-29-9-4-5-16-38-29)21-27-19-28(25-7-2-1-3-8-25)22-39-33(27)35-36(37,32(26)34(30)43-35)15-17-40(31)23-24-11-12-24/h1-5,7-9,13-14,16,19,22,24,31,35,41H,6,10-12,15,17-18,20-21,23H2/t31-,35+,36+,37-/m1/s1
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5.30n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bin...


J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50545686
PNG
(CHEMBL4635711)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccc(Cl)cc1)OCCCc1ccncc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C37H36ClN3O3/c38-29-8-5-25(6-9-29)28-18-27-20-37(43-17-1-2-23-11-14-39-15-12-23)31-19-26-7-10-30(42)34-32(26)36(37,35(44-34)33(27)40-21-28)13-16-41(31)22-24-3-4-24/h5-12,14-15,18,21,24,31,35,42H,1-4,13,16-17,19-20,22H2/t31-,35+,36+,37-/m1/s1
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5.40n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human mu opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bindin...


J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50545689
PNG
(CHEMBL4646687)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccccc1)OCCCc1ccccn1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C37H37N3O3/c41-30-14-13-26-20-31-37(42-18-6-10-29-9-4-5-16-38-29)21-27-19-28(25-7-2-1-3-8-25)22-39-33(27)35-36(37,32(26)34(30)43-35)15-17-40(31)23-24-11-12-24/h1-5,7-9,13-14,16,19,22,24,31,35,41H,6,10-12,15,17-18,20-21,23H2/t31-,35+,36+,37-/m1/s1
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5.90n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human delta opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bin...


J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50545693
PNG
(CHEMBL4645533)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccccc1)OCCCC1CCOCC1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C37H42N2O4/c40-30-11-10-27-20-31-37(42-16-4-5-24-12-17-41-18-13-24)21-28-19-29(26-6-2-1-3-7-26)22-38-33(28)35-36(37,32(27)34(30)43-35)14-15-39(31)23-25-8-9-25/h1-3,6-7,10-11,19,22,24-25,31,35,40H,4-5,8-9,12-18,20-21,23H2/t31-,35+,36+,37-/m1/s1
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6n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human mu opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bindin...


J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50545668
PNG
(CHEMBL4641271)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccc(cc1)N(C)C)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C40H43N3O3/c1-42(2)32-15-12-28(13-16-32)31-21-30-23-40(45-20-6-9-26-7-4-3-5-8-26)34-22-29-14-17-33(44)37-35(29)39(40,38(46-37)36(30)41-24-31)18-19-43(34)25-27-10-11-27/h3-5,7-8,12-17,21,24,27,34,38,44H,6,9-11,18-20,22-23,25H2,1-2H3/t34-,38+,39+,40-/m1/s1
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6.20n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bin...


J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50545676
PNG
(CHEMBL4640826)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccncc1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C37H37N3O3/c41-30-11-10-27-20-31-37(42-18-4-7-24-5-2-1-3-6-24)21-28-19-29(26-12-15-38-16-13-26)22-39-33(28)35-36(37,32(27)34(30)43-35)14-17-40(31)23-25-8-9-25/h1-3,5-6,10-13,15-16,19,22,25,31,35,41H,4,7-9,14,17-18,20-21,23H2/t31-,35+,36+,37-/m1/s1
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6.40n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human delta opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bin...


J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50545674
PNG
(CHEMBL4648628)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccccn1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C37H37N3O3/c41-30-14-13-26-20-31-37(42-18-6-9-24-7-2-1-3-8-24)21-27-19-28(29-10-4-5-16-38-29)22-39-33(27)35-36(37,32(26)34(30)43-35)15-17-40(31)23-25-11-12-25/h1-5,7-8,10,13-14,16,19,22,25,31,35,41H,6,9,11-12,15,17-18,20-21,23H2/t31-,35+,36+,37-/m1/s1
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6.5n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human delta opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bin...


J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50545678
PNG
(CHEMBL4636598)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccnc(OC)c1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C38H39N3O4/c1-43-32-20-26(13-15-39-32)29-18-28-21-38(44-17-5-8-24-6-3-2-4-7-24)31-19-27-11-12-30(42)35-33(27)37(38,36(45-35)34(28)40-22-29)14-16-41(31)23-25-9-10-25/h2-4,6-7,11-13,15,18,20,22,25,31,36,42H,5,8-10,14,16-17,19,21,23H2,1H3/t31-,36+,37+,38-/m1/s1
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6.60n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bin...


J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50545658
PNG
(CHEMBL4644543)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccc(F)cc1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C38H37FN2O3/c39-30-13-10-26(11-14-30)29-19-28-21-38(43-18-4-7-24-5-2-1-3-6-24)32-20-27-12-15-31(42)35-33(27)37(38,36(44-35)34(28)40-22-29)16-17-41(32)23-25-8-9-25/h1-3,5-6,10-15,19,22,25,32,36,42H,4,7-9,16-18,20-21,23H2/t32-,36+,37+,38-/m1/s1
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6.70n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bin...


J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50545666
PNG
(CHEMBL4649485)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccccc1N(C)C)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C40H43N3O3/c1-42(2)32-13-7-6-12-31(32)30-21-29-23-40(45-20-8-11-26-9-4-3-5-10-26)34-22-28-16-17-33(44)37-35(28)39(40,38(46-37)36(29)41-24-30)18-19-43(34)25-27-14-15-27/h3-7,9-10,12-13,16-17,21,24,27,34,38,44H,8,11,14-15,18-20,22-23,25H2,1-2H3/t34-,38+,39+,40-/m1/s1
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7n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human mu opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bindin...


J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50535398
PNG
(CHEMBL4434948)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1C\C=C/C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |r,c:28|
Show InChI InChI=1S/C48H56N10O10.2C2HF3O2/c49-35(23-31-15-19-33(59)20-16-31)43(63)55-37-13-7-8-14-38(56-44(64)36(50)24-32-17-21-34(60)22-18-32)46(66)52-28-42(62)54-40(26-30-11-5-2-6-12-30)48(68)58-57-47(67)39(25-29-9-3-1-4-10-29)53-41(61)27-51-45(37)65;2*3-2(4,5)1(6)7/h1-12,15-22,35-40,59-60H,13-14,23-28,49-50H2,(H,51,65)(H,52,66)(H,53,61)(H,54,62)(H,55,63)(H,56,64)(H,57,67)(H,58,68);2*(H,6,7)/b8-7-;;/t35-,36-,37+,38+,39-,40-;;/m0../s1
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7.30n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara "G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human delta opioid receptor expressed in CHO cell membranes incubated for 1 hr by micro beta2 scintillation c...


ACS Med Chem Lett 10: 450-456 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00495
BindingDB Entry DOI: 10.7270/Q2N58QWM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50545695
PNG
(CHEMBL4638709)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccccc1)OCC)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C31H32N2O3/c1-2-35-31-16-22-14-23(20-6-4-3-5-7-20)17-32-27(22)29-30(31)12-13-33(18-19-8-9-19)25(31)15-21-10-11-24(34)28(36-29)26(21)30/h3-7,10-11,14,17,19,25,29,34H,2,8-9,12-13,15-16,18H2,1H3/t25-,29+,30+,31-/m1/s1
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7.5n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human delta opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bin...


J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50545656
PNG
(CHEMBL4645952)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccc(F)c(F)c1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C38H36F2N2O3/c39-29-12-10-25(18-30(29)40)28-17-27-20-38(44-16-4-7-23-5-2-1-3-6-23)32-19-26-11-13-31(43)35-33(26)37(38,36(45-35)34(27)41-21-28)14-15-42(32)22-24-8-9-24/h1-3,5-6,10-13,17-18,21,24,32,36,43H,4,7-9,14-16,19-20,22H2/t32-,36+,37+,38-/m1/s1
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7.5n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human delta opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bin...


J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398760
PNG
(CHEMBL2179652)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35OCCCc1ccccc1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C38H37ClN2O3/c39-30-13-10-26(11-14-30)29-19-28-21-38(43-18-4-7-24-5-2-1-3-6-24)32-20-27-12-15-31(42)35-33(27)37(38,36(44-35)34(28)40-22-29)16-17-41(32)23-25-8-9-25/h1-3,5-6,10-15,19,22,25,32,36,42H,4,7-9,16-18,20-21,23H2/t32-,36+,37+,38-/m1/s1
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Similars

Article
PubMed
7.60n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human mu opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bindin...


J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50526891
PNG
(CHEMBL4473632)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCc2ccccc2CSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O |r,wU:27.25,15.13,80.83,44.45,wD:61.62,40.40,(47.76,-44.43,;46.4,-43.65,;46.4,-42.08,;45.04,-44.43,;43.68,-43.65,;45.04,-45.99,;43.68,-45.21,;73.07,-40.39,;71.71,-39.61,;71.71,-38.04,;70.35,-40.39,;68.99,-39.61,;70.35,-41.95,;68.99,-41.17,;48.51,-39.83,;49.84,-39.06,;49.84,-37.52,;48.51,-36.76,;48.52,-35.22,;47.18,-34.45,;45.86,-35.22,;44.52,-34.45,;45.86,-36.76,;47.18,-37.52,;51.18,-39.83,;51.18,-41.37,;52.5,-39.06,;53.83,-39.84,;53.83,-41.4,;52.48,-42.17,;52.47,-43.73,;53.62,-45.44,;52.27,-46.21,;52.26,-47.76,;53.6,-48.55,;54.95,-47.77,;54.96,-46.22,;57.82,-46.78,;59.17,-45.99,;59.16,-44.43,;60.51,-43.65,;61.84,-44.41,;63.17,-43.64,;63.16,-42.1,;64.5,-44.39,;65.82,-43.62,;64.5,-45.93,;65.86,-46.71,;65.86,-48.27,;67.22,-49.04,;68.56,-48.26,;69.92,-49.02,;68.54,-46.69,;67.19,-45.92,;60.5,-42.11,;61.82,-41.33,;59.16,-41.35,;59.15,-39.81,;60.49,-39.04,;61.82,-39.8,;60.48,-37.5,;61.8,-36.73,;63.15,-37.49,;64.46,-36.72,;65.79,-37.49,;67.12,-36.71,;67.11,-35.17,;68.43,-34.39,;65.77,-34.41,;64.45,-35.19,;61.8,-35.19,;63.13,-34.42,;60.47,-34.43,;59.13,-35.2,;57.8,-34.44,;57.8,-32.9,;59.12,-32.13,;60.46,-32.89,;56.46,-32.15,;56.45,-30.6,;55.14,-32.91,;53.8,-32.16,;53.79,-30.61,;55.12,-29.85,;55.12,-28.32,;53.79,-27.55,;53.78,-26.01,;52.45,-28.34,;52.46,-29.87,;55.14,-34.45,;53.81,-35.23,;52.48,-34.46,;53.82,-36.76,;55.16,-37.52,;55.16,-39.06,;56.49,-39.82,)|
Show InChI InChI=1S/C58H66F2N10O10S2.2C2HF3O2/c59-41-13-5-37(6-14-41)27-47-57(79)69-21-23-70(24-22-69)58(80)48(28-38-7-15-42(60)16-8-38)66-52(74)30-64-56(78)50(68-54(76)46(62)26-36-11-19-44(72)20-12-36)34-82-32-40-4-2-1-3-39(40)31-81-33-49(55(77)63-29-51(73)65-47)67-53(75)45(61)25-35-9-17-43(71)18-10-35;2*3-2(4,5)1(6)7/h1-20,45-50,71-72H,21-34,61-62H2,(H,63,77)(H,64,78)(H,65,73)(H,66,74)(H,67,75)(H,68,76);2*(H,6,7)/t45-,46-,47-,48-,49+,50+;;/m0../s1
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7.90n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara "G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human DOR expressed in CHO cell membranes incubated for 1 hr by scintillation counting method


J Med Chem 63: 2673-2687 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50545683
PNG
(CHEMBL4644731)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1cnn(C)c1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C36H38N4O3/c1-39-22-28(20-38-39)27-16-26-18-36(42-15-5-8-23-6-3-2-4-7-23)30-17-25-11-12-29(41)33-31(25)35(36,34(43-33)32(26)37-19-27)13-14-40(30)21-24-9-10-24/h2-4,6-7,11-12,16,19-20,22,24,30,34,41H,5,8-10,13-15,17-18,21H2,1H3/t30-,34+,35+,36-/m1/s1
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8n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human delta opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bin...


J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50545666
PNG
(CHEMBL4649485)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1ccccc1N(C)C)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C40H43N3O3/c1-42(2)32-13-7-6-12-31(32)30-21-29-23-40(45-20-8-11-26-9-4-3-5-10-26)34-22-28-16-17-33(44)37-35(28)39(40,38(46-37)36(29)41-24-30)18-19-43(34)25-27-14-15-27/h3-7,9-10,12-13,16-17,21,24,27,34,38,44H,8,11,14-15,18-20,22-23,25H2,1-2H3/t34-,38+,39+,40-/m1/s1
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8n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bin...


J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50545685
PNG
(CHEMBL4646678)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1nnc(C)o1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C35H36N4O4/c1-21-37-38-33(42-21)26-16-25-18-35(41-15-5-8-22-6-3-2-4-7-22)28-17-24-11-12-27(40)31-29(24)34(35,32(43-31)30(25)36-19-26)13-14-39(28)20-23-9-10-23/h2-4,6-7,11-12,16,19,23,28,32,40H,5,8-10,13-15,17-18,20H2,1H3/t28-,32+,34+,35-/m1/s1
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8.10n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human delta opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bin...


J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50526894
PNG
(CHEMBL4539430)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCc2ccccc2CSC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O |r|
Show InChI InChI=1S/C58H68F2N10O10S2.2C2HF3O2/c1-31-17-41(71)18-32(2)43(31)23-45(61)53(75)67-49-29-81-27-37-7-5-6-8-38(37)28-82-30-50(68-54(76)46(62)24-44-33(3)19-42(72)20-34(44)4)56(78)64-26-52(74)66-48(22-36-11-15-40(60)16-12-36)58(80)70-69-57(79)47(65-51(73)25-63-55(49)77)21-35-9-13-39(59)14-10-35;2*3-2(4,5)1(6)7/h5-20,45-50,71-72H,21-30,61-62H2,1-4H3,(H,63,77)(H,64,78)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,79)(H,70,80);2*(H,6,7)/t45-,46-,47-,48-,49+,50+;;/m0../s1
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8.20n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara "G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human DOR expressed in CHO cell membranes incubated for 1 hr by scintillation counting method


J Med Chem 63: 2673-2687 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50545665
PNG
(CHEMBL4640139)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1cccc(O)c1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C38H38N2O4/c41-30-10-4-9-26(19-30)29-18-28-21-38(43-17-5-8-24-6-2-1-3-7-24)32-20-27-13-14-31(42)35-33(27)37(38,36(44-35)34(28)39-22-29)15-16-40(32)23-25-11-12-25/h1-4,6-7,9-10,13-14,18-19,22,25,32,36,41-42H,5,8,11-12,15-17,20-21,23H2/t32-,36+,37+,38-/m1/s1
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8.40n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human delta opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bin...


J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair
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