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Compile Data Set for Download or QSAR

Found 107 hits Enz. Inhib. hit(s) with all data for entry = 50007089   
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


(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)
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)
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)
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)
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)
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)
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)
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
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)
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)
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)
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
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))
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
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
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
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)
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)
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)
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)
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)
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)
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
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
Mu-type opioid receptor


(MOUSE)
BDBM50506215
PNG
(CHEMBL4589984)
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+;/m0./s1
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0.310n/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)
BDBM50506212
PNG
(CHEMBL4439371)
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+;/m0./s1
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0.350n/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)
BDBM50506209
PNG
(CHEMBL4560853)
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+;/m0./s1
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0.390n/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)
BDBM50506216
PNG
(CHEMBL4447404)
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+;/m0./s1
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0.440n/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))
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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0.480n/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))
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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0.75n/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))
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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0.800n/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))
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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0.810n/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))
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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1.20n/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
Delta-type opioid receptor


(Homo sapiens (Human))
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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1.40n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-norBNI from human delta 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
Delta-type opioid receptor


(Homo sapiens (Human))
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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1.40n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-norBNI from human delta 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))
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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1.60n/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))
BDBM50506216
PNG
(CHEMBL4447404)
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+;/m0./s1
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1.70n/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))
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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1.70n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


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


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))
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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1.70n/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
Delta-type opioid receptor


(Homo sapiens (Human))
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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1.90n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-norBNI from human delta 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
Delta-type opioid receptor


(Homo sapiens (Human))
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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2n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-norBNI from human delta 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))
BDBM50506209
PNG
(CHEMBL4560853)
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+;/m0./s1
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2.20n/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))
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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2.40n/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))
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
PDB

UniProtKB/SwissProt

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UniChem
Article
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2.40n/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))
BDBM50506215
PNG
(CHEMBL4589984)
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+;/m0./s1
PDB

UniProtKB/SwissProt

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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.70n/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))
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.40n/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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