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Compile Data Set for Download or QSAR

Found 131 hits with Last Name = 'henry' and Initial = 'sp'   
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
Mu-type opioid receptor


(GUINEA PIG)		BDBM50427556
PNG
(CHEMBL2322568)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1S/C27H31N3O2/c1-17-12-21(31)13-18(2)22(17)16-24(28)27(32)30-26-10-11-29-25-9-8-20(15-23(25)26)14-19-6-4-3-5-7-19/h3-9,12-13,15,24,26,29,31H,10-11,14,16,28H2,1-2H3,(H,30,32)/t24-,26+/m0/s1
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 0.220n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mu-type opioid receptor in guinea pig brain membranes preincubated for 15 mins followed by [3H]-DAMGO addition and me...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50521436
PNG
(CHEMBL4451153)
Show SMILES OC(=O)C(F)(F)F.CCCOc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C28H34N2O3.C2HF3O2/c1-4-12-33-27-11-10-22(15-21-8-6-5-7-9-21)16-23(27)18-30-28(32)26(29)17-25-19(2)13-24(31)14-20(25)3;3-2(4,5)1(6)7/h5-11,13-14,16,26,31H,4,12,15,17-18,29H2,1-3H3,(H,30,32);(H,6,7)/t26-;/m0./s1
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 0.910n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat mu-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scintil...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50521440
PNG
(CHEMBL4460430)
Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cccc(Cc2ccccc2)c1 |r|
Show InChI InChI=1S/C25H28N2O2.C2HF3O2/c1-17-11-22(28)12-18(2)23(17)15-24(26)25(29)27-16-21-10-6-9-20(14-21)13-19-7-4-3-5-8-19;3-2(4,5)1(6)7/h3-12,14,24,28H,13,15-16,26H2,1-2H3,(H,27,29);(H,6,7)/t24-;/m0./s1
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 1n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat mu-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scintil...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50521438
PNG
(CHEMBL4538540)
Show SMILES OC(=O)C(F)(F)F.C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1cccc(Cc2ccccc2)c1 |r|
Show InChI InChI=1S/C26H30N2O2.C2HF3O2/c1-17-12-23(29)13-18(2)24(17)16-25(27)26(30)28-19(3)22-11-7-10-21(15-22)14-20-8-5-4-6-9-20;3-2(4,5)1(6)7/h4-13,15,19,25,29H,14,16,27H2,1-3H3,(H,28,30);(H,6,7)/t19-,25+;/m1./s1
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 1.10n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat mu-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scintil...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50521443
PNG
(CHEMBL4436450)
Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cc(Cc2ccccc2)ccc1OC(F)(F)F |r|
Show InChI InChI=1S/C26H27F3N2O3.C2HF3O2/c1-16-10-21(32)11-17(2)22(16)14-23(30)25(33)31-15-20-13-19(12-18-6-4-3-5-7-18)8-9-24(20)34-26(27,28)29;3-2(4,5)1(6)7/h3-11,13,23,32H,12,14-15,30H2,1-2H3,(H,31,33);(H,6,7)/t23-;/m0./s1
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 1.40n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat mu-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scintil...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50521447
PNG
(CHEMBL4448378)
Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cc(Cc2ccccc2)ccc1OCC1CC1 |r|
Show InChI InChI=1S/C29H34N2O3.C2HF3O2/c1-19-12-25(32)13-20(2)26(19)16-27(30)29(33)31-17-24-15-23(14-21-6-4-3-5-7-21)10-11-28(24)34-18-22-8-9-22;3-2(4,5)1(6)7/h3-7,10-13,15,22,27,32H,8-9,14,16-18,30H2,1-2H3,(H,31,33);(H,6,7)/t27-;/m0./s1
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 2.70n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat mu-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scintil...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50520473
PNG
(CHEMBL4453368)
Show SMILES CCOc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C27H32N2O3/c1-4-32-26-11-10-21(14-20-8-6-5-7-9-20)15-22(26)17-29-27(31)25(28)16-24-18(2)12-23(30)13-19(24)3/h5-13,15,25,30H,4,14,16-17,28H2,1-3H3,(H,29,31)/t25-/m0/s1
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 2.80n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat mu-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scintil...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50521434
PNG
(CHEMBL4443946)
Show SMILES OC(=O)C(F)(F)F.CC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1cccc(Cc2ccccc2)c1 |r|
Show InChI InChI=1S/C27H32N2O2.C2HF3O2/c1-4-26(22-12-8-11-21(16-22)15-20-9-6-5-7-10-20)29-27(31)25(28)17-24-18(2)13-23(30)14-19(24)3;3-2(4,5)1(6)7/h5-14,16,25-26,30H,4,15,17,28H2,1-3H3,(H,29,31);(H,6,7)/t25-,26+;/m0./s1
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 3.20n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat mu-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scintil...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50521442
PNG
(CHEMBL4464497)
Show SMILES OC(=O)C(F)(F)F.COc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C26H30N2O3.C2HF3O2/c1-17-11-22(29)12-18(2)23(17)15-24(27)26(30)28-16-21-14-20(9-10-25(21)31-3)13-19-7-5-4-6-8-19;3-2(4,5)1(6)7/h4-12,14,24,29H,13,15-16,27H2,1-3H3,(H,28,30);(H,6,7)/t24-;/m0./s1
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 3.60n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat mu-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scintil...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50521439
PNG
(CHEMBL4573912)
Show SMILES OC(=O)C(F)(F)F.CCC(=O)Nc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C28H33N3O3.C2HF3O2/c1-4-27(33)31-26-11-10-21(14-20-8-6-5-7-9-20)15-22(26)17-30-28(34)25(29)16-24-18(2)12-23(32)13-19(24)3;3-2(4,5)1(6)7/h5-13,15,25,32H,4,14,16-17,29H2,1-3H3,(H,30,34)(H,31,33);(H,6,7)/t25-;/m0./s1
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 4.20n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat mu-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scintil...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50521435
PNG
(CHEMBL4569796)
Show SMILES OC(=O)C(F)(F)F.Cc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C26H30N2O2.C2HF3O2/c1-17-9-10-21(13-20-7-5-4-6-8-20)14-22(17)16-28-26(30)25(27)15-24-18(2)11-23(29)12-19(24)3;3-2(4,5)1(6)7/h4-12,14,25,29H,13,15-16,27H2,1-3H3,(H,28,30);(H,6,7)/t25-;/m0./s1
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 5.20n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat mu-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scintil...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50521436
PNG
(CHEMBL4451153)
Show SMILES OC(=O)C(F)(F)F.CCCOc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C28H34N2O3.C2HF3O2/c1-4-12-33-27-11-10-22(15-21-8-6-5-7-9-21)16-23(27)18-30-28(32)26(29)17-25-19(2)13-24(31)14-20(25)3;3-2(4,5)1(6)7/h5-11,13-14,16,26,31H,4,12,15,17-18,29H2,1-3H3,(H,30,32);(H,6,7)/t26-;/m0./s1
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 5.30n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat delta-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scin...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50521437
PNG
(CHEMBL4437304)
Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cc(Cc2ccccc2)ccc1Cl |r|
Show InChI InChI=1S/C25H27ClN2O2.C2HF3O2/c1-16-10-21(29)11-17(2)22(16)14-24(27)25(30)28-15-20-13-19(8-9-23(20)26)12-18-6-4-3-5-7-18;3-2(4,5)1(6)7/h3-11,13,24,29H,12,14-15,27H2,1-2H3,(H,28,30);(H,6,7)/t24-;/m0./s1
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 5.60n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat mu-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scintil...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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 6.30n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat mu-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr by liquid scintillation cou...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50521445
PNG
(CHEMBL4450863)
Show SMILES OC(=O)C(F)(F)F.COc1ccc(Cc2ccccc2)cc1[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C27H32N2O3.C2HF3O2/c1-17-12-22(30)13-18(2)23(17)16-25(28)27(31)29-19(3)24-15-21(10-11-26(24)32-4)14-20-8-6-5-7-9-20;3-2(4,5)1(6)7/h5-13,15,19,25,30H,14,16,28H2,1-4H3,(H,29,31);(H,6,7)/t19-,25+;/m1./s1
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 6.80n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat delta-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scin...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50521443
PNG
(CHEMBL4436450)
Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cc(Cc2ccccc2)ccc1OC(F)(F)F |r|
Show InChI InChI=1S/C26H27F3N2O3.C2HF3O2/c1-16-10-21(32)11-17(2)22(16)14-23(30)25(33)31-15-20-13-19(12-18-6-4-3-5-7-18)8-9-24(20)34-26(27,28)29;3-2(4,5)1(6)7/h3-11,13,23,32H,12,14-15,30H2,1-2H3,(H,31,33);(H,6,7)/t23-;/m0./s1
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 7.30n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat delta-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scin...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50521446
PNG
(CHEMBL4473111)
Show SMILES OC(=O)C(F)(F)F.CC(=O)Nc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C27H31N3O3.C2HF3O2/c1-17-11-23(32)12-18(2)24(17)15-25(28)27(33)29-16-22-14-21(9-10-26(22)30-19(3)31)13-20-7-5-4-6-8-20;3-2(4,5)1(6)7/h4-12,14,25,32H,13,15-16,28H2,1-3H3,(H,29,33)(H,30,31);(H,6,7)/t25-;/m0./s1
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UniChem
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PubMed
 7.90n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat mu-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scintil...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50521444
PNG
(CHEMBL4459283)
Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cc(Cc2ccccc2)ccc1OCc1ccccc1 |r|
Show InChI InChI=1S/C32H34N2O3.C2HF3O2/c1-22-15-28(35)16-23(2)29(22)19-30(33)32(36)34-20-27-18-26(17-24-9-5-3-6-10-24)13-14-31(27)37-21-25-11-7-4-8-12-25;3-2(4,5)1(6)7/h3-16,18,30,35H,17,19-21,33H2,1-2H3,(H,34,36);(H,6,7)/t30-;/m0./s1
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 8n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat mu-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scintil...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50521445
PNG
(CHEMBL4450863)
Show SMILES OC(=O)C(F)(F)F.COc1ccc(Cc2ccccc2)cc1[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C27H32N2O3.C2HF3O2/c1-17-12-22(30)13-18(2)23(17)16-25(28)27(31)29-19(3)24-15-21(10-11-26(24)32-4)14-20-8-6-5-7-9-20;3-2(4,5)1(6)7/h5-13,15,19,25,30H,14,16,28H2,1-4H3,(H,29,31);(H,6,7)/t19-,25+;/m1./s1
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 8n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat mu-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scintil...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50521441
PNG
(CHEMBL4475106)
Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cc(Cc2ccccc2)ccc1O |r|
Show InChI InChI=1S/C25H28N2O3.C2HF3O2/c1-16-10-21(28)11-17(2)22(16)14-23(26)25(30)27-15-20-13-19(8-9-24(20)29)12-18-6-4-3-5-7-18;3-2(4,5)1(6)7/h3-11,13,23,28-29H,12,14-15,26H2,1-2H3,(H,27,30);(H,6,7)/t23-;/m0./s1
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 9.5n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat mu-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scintil...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50521447
PNG
(CHEMBL4448378)
Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cc(Cc2ccccc2)ccc1OCC1CC1 |r|
Show InChI InChI=1S/C29H34N2O3.C2HF3O2/c1-19-12-25(32)13-20(2)26(19)16-27(30)29(33)31-17-24-15-23(14-21-6-4-3-5-7-21)10-11-28(24)34-18-22-8-9-22;3-2(4,5)1(6)7/h3-7,10-13,15,22,27,32H,8-9,14,16-18,30H2,1-2H3,(H,31,33);(H,6,7)/t27-;/m0./s1
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 14n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat delta-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scin...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50521440
PNG
(CHEMBL4460430)
Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cccc(Cc2ccccc2)c1 |r|
Show InChI InChI=1S/C25H28N2O2.C2HF3O2/c1-17-11-22(28)12-18(2)23(17)15-24(26)25(29)27-16-21-10-6-9-20(14-21)13-19-7-4-3-5-8-19;3-2(4,5)1(6)7/h3-12,14,24,28H,13,15-16,26H2,1-2H3,(H,27,29);(H,6,7)/t24-;/m0./s1
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 15n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat delta-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scin...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50521442
PNG
(CHEMBL4464497)
Show SMILES OC(=O)C(F)(F)F.COc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C26H30N2O3.C2HF3O2/c1-17-11-22(29)12-18(2)23(17)15-24(27)26(30)28-16-21-14-20(9-10-25(21)31-3)13-19-7-5-4-6-8-19;3-2(4,5)1(6)7/h4-12,14,24,29H,13,15-16,27H2,1-3H3,(H,28,30);(H,6,7)/t24-;/m0./s1
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 22n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat delta-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scin...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50521448
PNG
(CHEMBL4440903)
Show SMILES OC(=O)C(F)(F)F.CCNc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C27H33N3O2.C2HF3O2/c1-4-29-26-11-10-21(14-20-8-6-5-7-9-20)15-22(26)17-30-27(32)25(28)16-24-18(2)12-23(31)13-19(24)3;3-2(4,5)1(6)7/h5-13,15,25,29,31H,4,14,16-17,28H2,1-3H3,(H,30,32);(H,6,7)/t25-;/m0./s1
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 24n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat mu-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scintil...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50520473
PNG
(CHEMBL4453368)
Show SMILES CCOc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C27H32N2O3/c1-4-32-26-11-10-21(14-20-8-6-5-7-9-20)15-22(26)17-29-27(31)25(28)16-24-18(2)12-23(30)13-19(24)3/h5-13,15,25,30H,4,14,16-17,28H2,1-3H3,(H,29,31)/t25-/m0/s1
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 24n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat delta-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scin...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50521435
PNG
(CHEMBL4569796)
Show SMILES OC(=O)C(F)(F)F.Cc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C26H30N2O2.C2HF3O2/c1-17-9-10-21(13-20-7-5-4-6-8-20)14-22(17)16-28-26(30)25(27)15-24-18(2)11-23(29)12-19(24)3;3-2(4,5)1(6)7/h4-12,14,25,29H,13,15-16,27H2,1-3H3,(H,28,30);(H,6,7)/t25-;/m0./s1
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 34n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat delta-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scin...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50521437
PNG
(CHEMBL4437304)
Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cc(Cc2ccccc2)ccc1Cl |r|
Show InChI InChI=1S/C25H27ClN2O2.C2HF3O2/c1-16-10-21(29)11-17(2)22(16)14-24(27)25(30)28-15-20-13-19(8-9-23(20)26)12-18-6-4-3-5-7-18;3-2(4,5)1(6)7/h3-11,13,24,29H,12,14-15,27H2,1-2H3,(H,28,30);(H,6,7)/t24-;/m0./s1
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 38n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat delta-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scin...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50521438
PNG
(CHEMBL4538540)
Show SMILES OC(=O)C(F)(F)F.C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1cccc(Cc2ccccc2)c1 |r|
Show InChI InChI=1S/C26H30N2O2.C2HF3O2/c1-17-12-23(29)13-18(2)24(17)16-25(27)26(30)28-19(3)22-11-7-10-21(15-22)14-20-8-5-4-6-9-20;3-2(4,5)1(6)7/h4-13,15,19,25,29H,14,16,27H2,1-3H3,(H,28,30);(H,6,7)/t19-,25+;/m1./s1
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 46n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat delta-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scin...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50521434
PNG
(CHEMBL4443946)
Show SMILES OC(=O)C(F)(F)F.CC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1cccc(Cc2ccccc2)c1 |r|
Show InChI InChI=1S/C27H32N2O2.C2HF3O2/c1-4-26(22-12-8-11-21(16-22)15-20-9-6-5-7-10-20)29-27(31)25(28)17-24-18(2)13-23(30)14-19(24)3;3-2(4,5)1(6)7/h5-14,16,25-26,30H,4,15,17,28H2,1-3H3,(H,29,31);(H,6,7)/t25-,26+;/m0./s1
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 50n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human kappa-type opioid receptor expressed in CHO cell membranes incubated for 1 hr in shaker by liquid scint...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50521434
PNG
(CHEMBL4443946)
Show SMILES OC(=O)C(F)(F)F.CC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1cccc(Cc2ccccc2)c1 |r|
Show InChI InChI=1S/C27H32N2O2.C2HF3O2/c1-4-26(22-12-8-11-21(16-22)15-20-9-6-5-7-10-20)29-27(31)25(28)17-24-18(2)13-23(30)14-19(24)3;3-2(4,5)1(6)7/h5-14,16,25-26,30H,4,15,17,28H2,1-3H3,(H,29,31);(H,6,7)/t25-,26+;/m0./s1
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 61n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat delta-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scin...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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 61n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50521448
PNG
(CHEMBL4440903)
Show SMILES OC(=O)C(F)(F)F.CCNc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C27H33N3O2.C2HF3O2/c1-4-29-26-11-10-21(14-20-8-6-5-7-9-20)15-22(26)17-30-27(32)25(28)16-24-18(2)12-23(31)13-19(24)3;3-2(4,5)1(6)7/h5-13,15,25,29,31H,4,14,16-17,28H2,1-3H3,(H,30,32);(H,6,7)/t25-;/m0./s1
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 64n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat delta-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scin...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50427556
PNG
(CHEMBL2322568)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1S/C27H31N3O2/c1-17-12-21(31)13-18(2)22(17)16-24(28)27(32)30-26-10-11-29-25-9-8-20(15-23(25)26)14-19-6-4-3-5-7-19/h3-9,12-13,15,24,26,29,31H,10-11,14,16,28H2,1-2H3,(H,30,32)/t24-,26+/m0/s1
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 68n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69593 from kappa-type opioid receptor in guinea pig brain membranes preincubated for 15 mins followed by [3H]-U69593 addition a...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50521444
PNG
(CHEMBL4459283)
Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cc(Cc2ccccc2)ccc1OCc1ccccc1 |r|
Show InChI InChI=1S/C32H34N2O3.C2HF3O2/c1-22-15-28(35)16-23(2)29(22)19-30(33)32(36)34-20-27-18-26(17-24-9-5-3-6-10-24)13-14-31(27)37-21-25-11-7-4-8-12-25;3-2(4,5)1(6)7/h3-16,18,30,35H,17,19-21,33H2,1-2H3,(H,34,36);(H,6,7)/t30-;/m0./s1
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 70n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat delta-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scin...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50521439
PNG
(CHEMBL4573912)
Show SMILES OC(=O)C(F)(F)F.CCC(=O)Nc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C28H33N3O3.C2HF3O2/c1-4-27(33)31-26-11-10-21(14-20-8-6-5-7-9-20)15-22(26)17-30-28(34)25(29)16-24-18(2)12-23(32)13-19(24)3;3-2(4,5)1(6)7/h5-13,15,25,32H,4,14,16-17,29H2,1-3H3,(H,30,34)(H,31,33);(H,6,7)/t25-;/m0./s1
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 108n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat delta-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scin...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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PubMed
 171n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat delta-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr by liquid scintillation ...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50521441
PNG
(CHEMBL4475106)
Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cc(Cc2ccccc2)ccc1O |r|
Show InChI InChI=1S/C25H28N2O3.C2HF3O2/c1-16-10-21(28)11-17(2)22(16)14-23(26)25(30)27-15-20-13-19(8-9-24(20)29)12-18-6-4-3-5-7-18;3-2(4,5)1(6)7/h3-11,13,23,28-29H,12,14-15,26H2,1-2H3,(H,27,30);(H,6,7)/t23-;/m0./s1
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 175n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat delta-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scin...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50521438
PNG
(CHEMBL4538540)
Show SMILES OC(=O)C(F)(F)F.C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1cccc(Cc2ccccc2)c1 |r|
Show InChI InChI=1S/C26H30N2O2.C2HF3O2/c1-17-12-23(29)13-18(2)24(17)16-25(27)26(30)28-19(3)22-11-7-10-21(15-22)14-20-8-5-4-6-9-20;3-2(4,5)1(6)7/h4-13,15,19,25,29H,14,16,27H2,1-3H3,(H,28,30);(H,6,7)/t19-,25+;/m1./s1
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 201n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human kappa-type opioid receptor expressed in CHO cell membranes incubated for 1 hr in shaker by liquid scint...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50521441
PNG
(CHEMBL4475106)
Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cc(Cc2ccccc2)ccc1O |r|
Show InChI InChI=1S/C25H28N2O3.C2HF3O2/c1-16-10-21(28)11-17(2)22(16)14-23(26)25(30)27-15-20-13-19(8-9-24(20)29)12-18-6-4-3-5-7-18;3-2(4,5)1(6)7/h3-11,13,23,28-29H,12,14-15,26H2,1-2H3,(H,27,30);(H,6,7)/t23-;/m0./s1
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 307n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human kappa-type opioid receptor expressed in CHO cell membranes incubated for 1 hr in shaker by liquid scint...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50521447
PNG
(CHEMBL4448378)
Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cc(Cc2ccccc2)ccc1OCC1CC1 |r|
Show InChI InChI=1S/C29H34N2O3.C2HF3O2/c1-19-12-25(32)13-20(2)26(19)16-27(30)29(33)31-17-24-15-23(14-21-6-4-3-5-7-21)10-11-28(24)34-18-22-8-9-22;3-2(4,5)1(6)7/h3-7,10-13,15,22,27,32H,8-9,14,16-18,30H2,1-2H3,(H,31,33);(H,6,7)/t27-;/m0./s1
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 319n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human kappa-type opioid receptor expressed in CHO cell membranes incubated for 1 hr in shaker by liquid scint...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50521445
PNG
(CHEMBL4450863)
Show SMILES OC(=O)C(F)(F)F.COc1ccc(Cc2ccccc2)cc1[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C27H32N2O3.C2HF3O2/c1-17-12-22(30)13-18(2)23(17)16-25(28)27(31)29-19(3)24-15-21(10-11-26(24)32-4)14-20-8-6-5-7-9-20;3-2(4,5)1(6)7/h5-13,15,19,25,30H,14,16,28H2,1-4H3,(H,29,31);(H,6,7)/t19-,25+;/m1./s1
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 330n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human kappa-type opioid receptor expressed in CHO cell membranes incubated for 1 hr in shaker by liquid scint...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50521435
PNG
(CHEMBL4569796)
Show SMILES OC(=O)C(F)(F)F.Cc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C26H30N2O2.C2HF3O2/c1-17-9-10-21(13-20-7-5-4-6-8-20)14-22(17)16-28-26(30)25(27)15-24-18(2)11-23(29)12-19(24)3;3-2(4,5)1(6)7/h4-12,14,25,29H,13,15-16,27H2,1-3H3,(H,28,30);(H,6,7)/t25-;/m0./s1
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 360n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human kappa-type opioid receptor expressed in CHO cell membranes incubated for 1 hr in shaker by liquid scint...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50521443
PNG
(CHEMBL4436450)
Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cc(Cc2ccccc2)ccc1OC(F)(F)F |r|
Show InChI InChI=1S/C26H27F3N2O3.C2HF3O2/c1-16-10-21(32)11-17(2)22(16)14-23(30)25(33)31-15-20-13-19(12-18-6-4-3-5-7-18)8-9-24(20)34-26(27,28)29;3-2(4,5)1(6)7/h3-11,13,23,32H,12,14-15,30H2,1-2H3,(H,31,33);(H,6,7)/t23-;/m0./s1
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 370n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human kappa-type opioid receptor expressed in CHO cell membranes incubated for 1 hr in shaker by liquid scint...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50521446
PNG
(CHEMBL4473111)
Show SMILES OC(=O)C(F)(F)F.CC(=O)Nc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C27H31N3O3.C2HF3O2/c1-17-11-23(32)12-18(2)24(17)15-25(28)27(33)29-16-22-14-21(9-10-26(22)30-19(3)31)13-20-7-5-4-6-8-20;3-2(4,5)1(6)7/h4-12,14,25,32H,13,15-16,28H2,1-3H3,(H,29,33)(H,30,31);(H,6,7)/t25-;/m0./s1
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 387n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat delta-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scin...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50521436
PNG
(CHEMBL4451153)
Show SMILES OC(=O)C(F)(F)F.CCCOc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C28H34N2O3.C2HF3O2/c1-4-12-33-27-11-10-22(15-21-8-6-5-7-9-21)16-23(27)18-30-28(32)26(29)17-25-19(2)13-24(31)14-20(25)3;3-2(4,5)1(6)7/h5-11,13-14,16,26,31H,4,12,15,17-18,29H2,1-3H3,(H,30,32);(H,6,7)/t26-;/m0./s1
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 390n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human kappa-type opioid receptor expressed in CHO cell membranes incubated for 1 hr in shaker by liquid scint...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50521448
PNG
(CHEMBL4440903)
Show SMILES OC(=O)C(F)(F)F.CCNc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C27H33N3O2.C2HF3O2/c1-4-29-26-11-10-21(14-20-8-6-5-7-9-20)15-22(26)17-30-27(32)25(28)16-24-18(2)12-23(31)13-19(24)3;3-2(4,5)1(6)7/h5-13,15,25,29,31H,4,14,16-17,28H2,1-3H3,(H,30,32);(H,6,7)/t25-;/m0./s1
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 408n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human kappa-type opioid receptor expressed in CHO cell membranes incubated for 1 hr in shaker by liquid scint...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50521440
PNG
(CHEMBL4460430)
Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cccc(Cc2ccccc2)c1 |r|
Show InChI InChI=1S/C25H28N2O2.C2HF3O2/c1-17-11-22(28)12-18(2)23(17)15-24(26)25(29)27-16-21-10-6-9-20(14-21)13-19-7-4-3-5-8-19;3-2(4,5)1(6)7/h3-12,14,24,28H,13,15-16,26H2,1-2H3,(H,27,29);(H,6,7)/t24-;/m0./s1
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 410n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human kappa-type opioid receptor expressed in CHO cell membranes incubated for 1 hr in shaker by liquid scint...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50521437
PNG
(CHEMBL4437304)
Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cc(Cc2ccccc2)ccc1Cl |r|
Show InChI InChI=1S/C25H27ClN2O2.C2HF3O2/c1-16-10-21(29)11-17(2)22(16)14-24(27)25(30)28-15-20-13-19(8-9-23(20)26)12-18-6-4-3-5-7-18;3-2(4,5)1(6)7/h3-11,13,24,29H,12,14-15,27H2,1-2H3,(H,28,30);(H,6,7)/t24-;/m0./s1
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 528n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human kappa-type opioid receptor expressed in CHO cell membranes incubated for 1 hr in shaker by liquid scint...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50521444
PNG
(CHEMBL4459283)
Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCc1cc(Cc2ccccc2)ccc1OCc1ccccc1 |r|
Show InChI InChI=1S/C32H34N2O3.C2HF3O2/c1-22-15-28(35)16-23(2)29(22)19-30(33)32(36)34-20-27-18-26(17-24-9-5-3-6-10-24)13-14-31(27)37-21-25-11-7-4-8-12-25;3-2(4,5)1(6)7/h3-16,18,30,35H,17,19-21,33H2,1-2H3,(H,34,36);(H,6,7)/t30-;/m0./s1
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 575n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human kappa-type opioid receptor expressed in CHO cell membranes incubated for 1 hr in shaker by liquid scint...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50521442
PNG
(CHEMBL4464497)
Show SMILES OC(=O)C(F)(F)F.COc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C26H30N2O3.C2HF3O2/c1-17-11-22(29)12-18(2)23(17)15-24(27)26(30)28-16-21-14-20(9-10-25(21)31-3)13-19-7-5-4-6-8-19;3-2(4,5)1(6)7/h4-12,14,24,29H,13,15-16,27H2,1-3H3,(H,28,30);(H,6,7)/t24-;/m0./s1
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 610n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human kappa-type opioid receptor expressed in CHO cell membranes incubated for 1 hr in shaker by liquid scint...

J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
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