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Compile Data Set for Download or QSAR

Found 386 hits with Last Name = 'obeng' and Initial = 's'   
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
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM69602
PNG
(2,3-dihydro-1,4-benzodioxin-3-ylmethyl-[2-(2,6-dim...)
Show SMILES COc1cccc(OC)c1OCCNCC1COc2ccccc2O1
Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3
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0.0380n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant adrenergic alpha-1B receptor expressed in CHO cell membranes incubated for 60 mins


J Med Chem 63: 433-439 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01465
BindingDB Entry DOI: 10.7270/Q2P55RW6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50506207
PNG
(CHEMBL4466064)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1coc2ccccc12)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O5.ClH/c32-21-8-7-17-13-23-29(34)10-9-20(30-27(33)19-15-35-22-4-2-1-3-18(19)22)26-28(29,24(17)25(21)36-26)11-12-31(23)14-16-5-6-16;/h1-4,7-8,15-16,20,23,26,32,34H,5-6,9-14H2,(H,30,33);1H/t20-,23-,26+,28+,29-;/m1./s1
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0.130n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naloxone from mouse mu opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50506225
PNG
(CHEMBL4562210)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccc2sccc2c1)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O4S.ClH/c32-21-5-3-18-14-23-29(34)9-7-20(30-27(33)19-4-6-22-17(13-19)8-12-36-22)26-28(29,24(18)25(21)35-26)10-11-31(23)15-16-1-2-16;/h3-6,8,12-13,16,20,23,26,32,34H,1-2,7,9-11,14-15H2,(H,30,33);1H/t20-,23-,26+,28+,29-;/m1./s1
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0.140n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naloxone from mouse mu opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50506210
PNG
(CHEMBL4455793)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1csc2ccccc12)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O4S.ClH/c32-21-8-7-17-13-23-29(34)10-9-20(30-27(33)19-15-36-22-4-2-1-3-18(19)22)26-28(29,24(17)25(21)35-26)11-12-31(23)14-16-5-6-16;/h1-4,7-8,15-16,20,23,26,32,34H,5-6,9-14H2,(H,30,33);1H/t20-,23-,26+,28+,29-;/m1./s1
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0.140n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naloxone from mouse mu opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50506217
PNG
(CHEMBL4458688)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cc2ccccc2s1)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O4S.ClH/c32-20-8-7-18-14-23-29(34)10-9-19(30-27(33)22-13-17-3-1-2-4-21(17)36-22)26-28(29,24(18)25(20)35-26)11-12-31(23)15-16-5-6-16;/h1-4,7-8,13,16,19,23,26,32,34H,5-6,9-12,14-15H2,(H,30,33);1H/t19-,23-,26+,28+,29-;/m1./s1
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0.140n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naloxone from mouse mu opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50506211
PNG
(CHEMBL4444746)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccc2ccsc2c1)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O4S.ClH/c32-21-6-5-18-14-23-29(34)9-7-20(30-27(33)19-4-3-17-8-12-36-22(17)13-19)26-28(29,24(18)25(21)35-26)10-11-31(23)15-16-1-2-16;/h3-6,8,12-13,16,20,23,26,32,34H,1-2,7,9-11,14-15H2,(H,30,33);1H/t20-,23-,26+,28+,29-;/m1./s1
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0.150n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naloxone from mouse mu opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50506219
PNG
(CHEMBL4460495)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccc2occc2c1)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O5.ClH/c32-21-5-3-18-14-23-29(34)9-7-20(30-27(33)19-4-6-22-17(13-19)8-12-35-22)26-28(29,24(18)25(21)36-26)10-11-31(23)15-16-1-2-16;/h3-6,8,12-13,16,20,23,26,32,34H,1-2,7,9-11,14-15H2,(H,30,33);1H/t20-,23-,26+,28+,29-;/m1./s1
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0.150n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naloxone from mouse mu opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50506228
PNG
(CHEMBL4570108)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cc2ccccc2o1)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O5.ClH/c32-20-8-7-18-14-23-29(34)10-9-19(30-27(33)22-13-17-3-1-2-4-21(17)35-22)26-28(29,24(18)25(20)36-26)11-12-31(23)15-16-5-6-16;/h1-4,7-8,13,16,19,23,26,32,34H,5-6,9-12,14-15H2,(H,30,33);1H/t19-,23-,26+,28+,29-;/m1./s1
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0.160n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naloxone from mouse mu opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM69602
PNG
(2,3-dihydro-1,4-benzodioxin-3-ylmethyl-[2-(2,6-dim...)
Show SMILES COc1cccc(OC)c1OCCNCC1COc2ccccc2O1
Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3
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0.160n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant adrenergic alpha-1A receptor expressed in CHO cell membranes incubated for 60 mins


J Med Chem 63: 433-439 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01465
BindingDB Entry DOI: 10.7270/Q2P55RW6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50506231
PNG
(CHEMBL4575933)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cccc2sccc12)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O4S.ClH/c32-21-7-6-17-14-23-29(34)10-8-20(30-27(33)19-2-1-3-22-18(19)9-13-36-22)26-28(29,24(17)25(21)35-26)11-12-31(23)15-16-4-5-16;/h1-3,6-7,9,13,16,20,23,26,32,34H,4-5,8,10-12,14-15H2,(H,30,33);1H/t20-,23-,26+,28+,29-;/m1./s1
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0.160n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naloxone from mouse mu opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50586108
PNG
(CHEMBL5094608)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)Cc1ccc[nH]1)ccc3O |r,THB:10:9:6.5.7:17|
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0.160n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-naloxone from mouse mu opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5 hrs by ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50506218
PNG
(CHEMBL4565323)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cccc2occc12)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O5.ClH/c32-21-7-6-17-14-23-29(34)10-8-20(30-27(33)19-2-1-3-22-18(19)9-13-35-22)26-28(29,24(17)25(21)36-26)11-12-31(23)15-16-4-5-16;/h1-3,6-7,9,13,16,20,23,26,32,34H,4-5,8,10-12,14-15H2,(H,30,33);1H/t20-,23-,26+,28+,29-;/m1./s1
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0.170n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naloxone from mouse mu opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50508336
PNG
(CHEMBL4530500)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccncc1[N+]([O-])=O)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C26H28N4O6/c31-19-4-3-15-11-20-26(33)7-5-17(28-24(32)16-6-9-27-12-18(16)30(34)35)23-25(26,21(15)22(19)36-23)8-10-29(20)13-14-1-2-14/h3-4,6,9,12,14,17,20,23,31,33H,1-2,5,7-8,10-11,13H2,(H,28,32)/t17-,20-,23+,25+,26-/m1/s1
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0.170n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-naloxone from mouse MOR expressed in CHO cell membranes by competitive radioligand binding assay


J Med Chem 62: 561-574 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01158
BindingDB Entry DOI: 10.7270/Q2CN776T
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.170n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant adrenergic alpha-1D receptor expressed in CHO cell membranes incubated for 60 mins


J Med Chem 63: 433-439 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01465
BindingDB Entry DOI: 10.7270/Q2P55RW6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50506213
PNG
(CHEMBL4457013)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccc2ccoc2c1)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O5.ClH/c32-21-6-5-18-14-23-29(34)9-7-20(30-27(33)19-4-3-17-8-12-35-22(17)13-19)26-28(29,24(18)25(21)36-26)10-11-31(23)15-16-1-2-16;/h3-6,8,12-13,16,20,23,26,32,34H,1-2,7,9-11,14-15H2,(H,30,33);1H/t20-,23-,26+,28+,29-;/m1./s1
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0.180n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naloxone from mouse mu opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50506220
PNG
(CHEMBL4588474)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cccc2ccoc12)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O5.ClH/c32-21-7-6-18-14-22-29(34)10-8-20(30-27(33)19-3-1-2-17-9-13-35-24(17)19)26-28(29,23(18)25(21)36-26)11-12-31(22)15-16-4-5-16;/h1-3,6-7,9,13,16,20,22,26,32,34H,4-5,8,10-12,14-15H2,(H,30,33);1H/t20-,22-,26+,28+,29-;/m1./s1
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0.180n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naloxone from mouse mu opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50506208
PNG
(CHEMBL4466248)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cccc2ccsc12)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O4S.ClH/c32-21-7-6-18-14-22-29(34)10-8-20(30-27(33)19-3-1-2-17-9-13-36-25(17)19)26-28(29,23(18)24(21)35-26)11-12-31(22)15-16-4-5-16;/h1-3,6-7,9,13,16,20,22,26,32,34H,4-5,8,10-12,14-15H2,(H,30,33);1H/t20-,22-,26+,28+,29-;/m1./s1
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0.190n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naloxone from mouse mu opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50506217
PNG
(CHEMBL4458688)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cc2ccccc2s1)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O4S.ClH/c32-20-8-7-18-14-23-29(34)10-9-19(30-27(33)22-13-17-3-1-2-4-21(17)36-22)26-28(29,24(18)25(20)35-26)11-12-31(23)15-16-5-6-16;/h1-4,7-8,13,16,19,23,26,32,34H,5-6,9-12,14-15H2,(H,30,33);1H/t19-,23-,26+,28+,29-;/m1./s1
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0.200n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naltrindole from mouse kappa opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding ass...


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50586137
PNG
(CHEMBL5085590)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)Cc1ccsc1)ccc3O |r,THB:10:9:17:6.5.7|
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Assay Description
Displacement of [3H]-naloxone from mouse mu opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5 hrs by ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50506222
PNG
(CHEMBL4572619)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1csc2ccccc12)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O4S.ClH/c32-21-8-7-17-13-23-29(34)10-9-20(30-27(33)19-15-36-22-4-2-1-3-18(19)22)26-28(29,24(17)25(21)35-26)11-12-31(23)14-16-5-6-16;/h1-4,7-8,15-16,20,23,26,32,34H,5-6,9-14H2,(H,30,33);1H/t20-,23+,26-,28-,29+;/m0./s1
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0.200n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naloxone from mouse mu opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50506211
PNG
(CHEMBL4444746)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccc2ccsc2c1)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O4S.ClH/c32-21-6-5-18-14-23-29(34)9-7-20(30-27(33)19-4-3-17-8-12-36-22(17)13-19)26-28(29,24(18)25(21)35-26)10-11-31(23)15-16-1-2-16;/h3-6,8,12-13,16,20,23,26,32,34H,1-2,7,9-11,14-15H2,(H,30,33);1H/t20-,23-,26+,28+,29-;/m1./s1
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0.200n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naltrindole from mouse kappa opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding ass...


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50586139
PNG
(CHEMBL5092405)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCc1ccsc1)ccc3O |r,THB:10:9:17:6.5.7|
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Assay Description
Displacement of [3H]-naloxone from mouse mu opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5 hrs by ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50506219
PNG
(CHEMBL4460495)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccc2occc2c1)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O5.ClH/c32-21-5-3-18-14-23-29(34)9-7-20(30-27(33)19-4-6-22-17(13-19)8-12-35-22)26-28(29,24(18)25(21)36-26)10-11-31(23)15-16-1-2-16;/h3-6,8,12-13,16,20,23,26,32,34H,1-2,7,9-11,14-15H2,(H,30,33);1H/t20-,23-,26+,28+,29-;/m1./s1
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0.210n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naltrindole from mouse kappa opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding ass...


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50506225
PNG
(CHEMBL4562210)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccc2sccc2c1)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O4S.ClH/c32-21-5-3-18-14-23-29(34)9-7-20(30-27(33)19-4-6-22-17(13-19)8-12-36-22)26-28(29,24(18)25(21)35-26)10-11-31(23)15-16-1-2-16;/h3-6,8,12-13,16,20,23,26,32,34H,1-2,7,9-11,14-15H2,(H,30,33);1H/t20-,23-,26+,28+,29-;/m1./s1
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0.210n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naltrindole from mouse kappa opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding ass...


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50586128
PNG
(CHEMBL5089829)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCc1ccoc1)ccc3O |r,THB:10:9:17:6.5.7|
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Assay Description
Displacement of [3H]-naloxone from mouse mu opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5 hrs by ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50586139
PNG
(CHEMBL5092405)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCc1ccsc1)ccc3O |r,THB:10:9:17:6.5.7|
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0.220n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of [3H]-diprenorphine from mouse kappa opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50586126
PNG
(CHEMBL5081715)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)Cc1ccoc1)ccc3O |r,THB:10:9:17:6.5.7|
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Assay Description
Displacement of [3H]-naloxone from mouse mu opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5 hrs by ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50506230
PNG
(CHEMBL4471389)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2cc[nH]c12)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H31N3O4.ClH/c33-21-7-6-18-14-22-29(35)10-8-20(31-27(34)19-3-1-2-17-9-12-30-24(17)19)26-28(29,23(18)25(21)36-26)11-13-32(22)15-16-4-5-16;/h1-3,6-7,9,12,16,20,22,26,30,33,35H,4-5,8,10-11,13-15H2,(H,31,34);1H/t20-,22+,26-,28-,29+;/m0./s1
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0.230n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naloxone from mouse mu opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50586120
PNG
(CHEMBL5085221)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)Cc1ccco1)ccc3O |r,THB:10:9:17:6.5.7|
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Assay Description
Displacement of [3H]-naloxone from mouse mu opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5 hrs by ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50586136
PNG
(CHEMBL5070150)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)Cc1ccsc1)ccc3O |r,THB:10:9:17:6.5.7|
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Assay Description
Displacement of [3H]-naloxone from mouse mu opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5 hrs by ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50506228
PNG
(CHEMBL4570108)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cc2ccccc2o1)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O5.ClH/c32-20-8-7-18-14-23-29(34)10-9-19(30-27(33)22-13-17-3-1-2-4-21(17)35-22)26-28(29,24(18)25(20)36-26)11-12-31(23)15-16-5-6-16;/h1-4,7-8,13,16,19,23,26,32,34H,5-6,9-12,14-15H2,(H,30,33);1H/t19-,23-,26+,28+,29-;/m1./s1
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0.230n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naltrindole from mouse kappa opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding ass...


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50586138
PNG
(CHEMBL5089759)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)CCc1ccsc1)ccc3O |r,THB:10:9:17:6.5.7|
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Assay Description
Displacement of [3H]-naloxone from mouse mu opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5 hrs by ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50586133
PNG
(CHEMBL5076910)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCc1cccs1)ccc3O |r,THB:10:9:17:6.5.7|
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Displacement of [3H]-diprenorphine from mouse kappa opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50005127
PNG
(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2
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Assay Description
Displacement of [3H]8-OH-DAPT from human recombinant 5-HT1A receptor expressed in COS7 cells measured after 60 to 90 mins by radioligand completion a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00726
BindingDB Entry DOI: 10.7270/Q2JS9VBR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50586131
PNG
(CHEMBL5082679)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)Cc1cccs1)ccc3O |r,THB:10:9:17:6.5.7|
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Displacement of [3H]-naloxone from mouse mu opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5 hrs by ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50586130
PNG
(CHEMBL5075108)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1cccs1)ccc3O |r,THB:10:9:6.5.7:17|
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Displacement of [3H]-naloxone from mouse mu opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5 hrs by ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50586135
PNG
(CHEMBL5088056)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccsc1)ccc3O |r,THB:10:9:6.5.7:17|
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Displacement of [3H]-naloxone from mouse mu opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5 hrs by ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50586133
PNG
(CHEMBL5076910)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCc1cccs1)ccc3O |r,THB:10:9:17:6.5.7|
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0.260n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-naloxone from mouse mu opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5 hrs by ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50506223
PNG
(CHEMBL4476318)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2occc12)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O5.ClH/c32-21-7-6-17-14-23-29(34)10-8-20(30-27(33)19-2-1-3-22-18(19)9-13-35-22)26-28(29,24(17)25(21)36-26)11-12-31(23)15-16-4-5-16;/h1-3,6-7,9,13,16,20,23,26,32,34H,4-5,8,10-12,14-15H2,(H,30,33);1H/t20-,23+,26-,28-,29+;/m0./s1
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0.260n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naloxone from mouse mu opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50506214
PNG
(CHEMBL4463978)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2sccc12)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O4S.ClH/c32-21-7-6-17-14-23-29(34)10-8-20(30-27(33)19-2-1-3-22-18(19)9-13-36-22)26-28(29,24(17)25(21)35-26)11-12-31(23)15-16-4-5-16;/h1-3,6-7,9,13,16,20,23,26,32,34H,4-5,8,10-12,14-15H2,(H,30,33);1H/t20-,23+,26-,28-,29+;/m0./s1
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0.260n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naloxone from mouse mu opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50506221
PNG
(CHEMBL4552786)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc2ccccc2s1)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O4S.ClH/c32-20-8-7-18-14-23-29(34)10-9-19(30-27(33)22-13-17-3-1-2-4-21(17)36-22)26-28(29,24(18)25(20)35-26)11-12-31(23)15-16-5-6-16;/h1-4,7-8,13,16,19,23,26,32,34H,5-6,9-12,14-15H2,(H,30,33);1H/t19-,23+,26-,28-,29+;/m0./s1
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0.270n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naloxone from mouse mu opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50506226
PNG
(CHEMBL4439476)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1coc2ccccc12)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O5.ClH/c32-21-8-7-17-13-23-29(34)10-9-20(30-27(33)19-15-35-22-4-2-1-3-18(19)22)26-28(29,24(17)25(21)36-26)11-12-31(23)14-16-5-6-16;/h1-4,7-8,15-16,20,23,26,32,34H,5-6,9-14H2,(H,30,33);1H/t20-,23+,26-,28-,29+;/m0./s1
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0.270n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naloxone from mouse mu opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50586113
PNG
(CHEMBL5085865)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)Cc1cc[nH]c1)ccc3O |r,THB:10:9:6.5.7:17|
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0.280n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-naloxone from mouse mu opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5 hrs by ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50506229
PNG
(CHEMBL4552608)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1ccc2ccsc2c1)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O4S.ClH/c32-21-6-5-18-14-23-29(34)9-7-20(30-27(33)19-4-3-17-8-12-36-22(17)13-19)26-28(29,24(18)25(21)35-26)10-11-31(23)15-16-1-2-16;/h3-6,8,12-13,16,20,23,26,32,34H,1-2,7,9-11,14-15H2,(H,30,33);1H/t20-,23+,26-,28-,29+;/m0./s1
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0.280n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naloxone from mouse mu opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50586122
PNG
(CHEMBL5090637)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCc1ccco1)ccc3O |r,THB:10:9:17:6.5.7|
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0.280n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-naloxone from mouse mu opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5 hrs by ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50506224
PNG
(CHEMBL4442161)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2ccoc12)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O5.ClH/c32-21-7-6-18-14-22-29(34)10-8-20(30-27(33)19-3-1-2-17-9-13-35-24(17)19)26-28(29,23(18)25(21)36-26)11-12-31(22)15-16-4-5-16;/h1-3,6-7,9,13,16,20,22,26,32,34H,4-5,8,10-12,14-15H2,(H,30,33);1H/t20-,22+,26-,28-,29+;/m0./s1
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0.280n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naloxone from mouse mu opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50506227
PNG
(CHEMBL4459104)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1ccc2ccoc2c1)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O5.ClH/c32-21-6-5-18-14-23-29(34)9-7-20(30-27(33)19-4-3-17-8-12-35-22(17)13-19)26-28(29,24(18)25(21)36-26)10-11-31(23)15-16-1-2-16;/h3-6,8,12-13,16,20,23,26,32,34H,1-2,7,9-11,14-15H2,(H,30,33);1H/t20-,23+,26-,28-,29+;/m0./s1
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0.290n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naloxone from mouse mu opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50586118
PNG
(CHEMBL5083695)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccco1)ccc3O |r,THB:10:9:6.5.7:17|
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0.300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-naloxone from mouse mu opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5 hrs by ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00087
BindingDB Entry DOI: 10.7270/Q21Z489F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50506213
PNG
(CHEMBL4457013)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccc2ccoc2c1)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O5.ClH/c32-21-6-5-18-14-23-29(34)9-7-20(30-27(33)19-4-3-17-8-12-35-22(17)13-19)26-28(29,24(18)25(21)36-26)10-11-31(23)15-16-1-2-16;/h3-6,8,12-13,16,20,23,26,32,34H,1-2,7,9-11,14-15H2,(H,30,33);1H/t20-,23-,26+,28+,29-;/m1./s1
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0.300n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naltrindole from mouse kappa opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding ass...


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50506207
PNG
(CHEMBL4466064)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1coc2ccccc12)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O5.ClH/c32-21-8-7-17-13-23-29(34)10-9-20(30-27(33)19-15-35-22-4-2-1-3-18(19)22)26-28(29,24(17)25(21)36-26)11-12-31(23)14-16-5-6-16;/h1-4,7-8,15-16,20,23,26,32,34H,5-6,9-14H2,(H,30,33);1H/t20-,23-,26+,28+,29-;/m1./s1
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0.300n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Naltrindole from mouse kappa opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding ass...


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair
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