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PubMed code 18448337

Compile data set for download or QSAR
Found 31 hits of Enzyme Inhibition Constant Data   
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
Nociceptin receptor


(Homo sapiens (Human))
BDBM29995
PNG
(CHEMBL494350 | benzimidazole-based antagonist, 1)
Show SMILES C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m1/s1
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n/an/a 0.650n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human ORL1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50239749
PNG
(2-(4-(6-chloro-2-(3-methylpentan-3-ylthio)-3H-benz...)
Show SMILES CCC(C)(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
Show InChI InChI=1S/C19H29ClN4OS/c1-4-19(3,5-2)26-18-21-15-12-14(20)17(13-16(15)22-18)24-8-6-23(7-9-24)10-11-25/h12-13,25H,4-11H2,1-3H3,(H,21,22)
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n/an/a 0.660n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human ORL1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50260633
PNG
((S)-2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]i...)
Show SMILES C[C@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from human ORL1 receptor


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50239749
PNG
(2-(4-(6-chloro-2-(3-methylpentan-3-ylthio)-3H-benz...)
Show SMILES CCC(C)(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
Show InChI InChI=1S/C19H29ClN4OS/c1-4-19(3,5-2)26-18-21-15-12-14(20)17(13-16(15)22-18)24-8-6-23(7-9-24)10-11-25/h12-13,25H,4-11H2,1-3H3,(H,21,22)
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n/an/a 1.20n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from human ORL1 receptor


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50260633
PNG
((S)-2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]i...)
Show SMILES C[C@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human ORL1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM29995
PNG
(CHEMBL494350 | benzimidazole-based antagonist, 1)
Show SMILES C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from human ORL1 receptor


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50239745
PNG
(2-(4-(6-chloro-2-(pentan-3-ylthio)-3H-benzo[d]imid...)
Show SMILES CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
Show InChI InChI=1S/C18H27ClN4OS/c1-3-13(4-2)25-18-20-15-11-14(19)17(12-16(15)21-18)23-7-5-22(6-8-23)9-10-24/h11-13,24H,3-10H2,1-2H3,(H,20,21)
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n/an/a 3.30n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human ORL1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50260633
PNG
((S)-2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]i...)
Show SMILES C[C@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human kappa opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50260630
PNG
(2-(4-(6-chloro-2-(pentan-3-ylthio)-3H-benzo[d]imid...)
Show SMILES CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)C(C)C1
Show InChI InChI=1S/C19H29ClN4OS/c1-4-14(5-2)26-19-21-16-10-15(20)18(11-17(16)22-19)24-7-6-23(8-9-25)13(3)12-24/h10-11,13-14,25H,4-9,12H2,1-3H3,(H,21,22)
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n/an/a 8n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from human ORL1 receptor


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50239745
PNG
(2-(4-(6-chloro-2-(pentan-3-ylthio)-3H-benzo[d]imid...)
Show SMILES CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
Show InChI InChI=1S/C18H27ClN4OS/c1-3-13(4-2)25-18-20-15-11-14(19)17(12-16(15)21-18)23-7-5-22(6-8-23)9-10-24/h11-13,24H,3-10H2,1-2H3,(H,20,21)
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n/an/a 9.70n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from human ORL1 receptor


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50239754
PNG
(2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]imida...)
Show SMILES CC(C)(C)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
Show InChI InChI=1S/C17H25ClN4OS/c1-17(2,3)24-16-19-13-10-12(18)15(11-14(13)20-16)22-6-4-21(5-7-22)8-9-23/h10-11,23H,4-9H2,1-3H3,(H,19,20)
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n/an/a 17n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from human ORL1 receptor


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50260632
PNG
(2-((1S,4S)-5-(6-chloro-2-(pentan-3-ylthio)-3H-benz...)
Show SMILES CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1C[C@@H]2C[C@H]1CN2CCO |r|
Show InChI InChI=1S/C19H27ClN4OS/c1-3-14(4-2)26-19-21-16-8-15(20)18(9-17(16)22-19)24-11-12-7-13(24)10-23(12)5-6-25/h8-9,12-14,25H,3-7,10-11H2,1-2H3,(H,21,22)/t12-,13-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from human ORL1 receptor


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50239754
PNG
(2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]imida...)
Show SMILES CC(C)(C)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
Show InChI InChI=1S/C17H25ClN4OS/c1-17(2,3)24-16-19-13-10-12(18)15(11-14(13)20-16)22-6-4-21(5-7-22)8-9-23/h10-11,23H,4-9H2,1-3H3,(H,19,20)
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n/an/a 21n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human ORL1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50260630
PNG
(2-(4-(6-chloro-2-(pentan-3-ylthio)-3H-benzo[d]imid...)
Show SMILES CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)C(C)C1
Show InChI InChI=1S/C19H29ClN4OS/c1-4-14(5-2)26-19-21-16-10-15(20)18(11-17(16)22-19)24-7-6-23(8-9-25)13(3)12-24/h10-11,13-14,25H,4-9,12H2,1-3H3,(H,21,22)
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n/an/a 22n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human ORL1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50260633
PNG
((S)-2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]i...)
Show SMILES C[C@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphin from human mu opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50260632
PNG
(2-((1S,4S)-5-(6-chloro-2-(pentan-3-ylthio)-3H-benz...)
Show SMILES CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1C[C@@H]2C[C@H]1CN2CCO |r|
Show InChI InChI=1S/C19H27ClN4OS/c1-3-14(4-2)26-19-21-16-8-15(20)18(9-17(16)22-19)24-11-12-7-13(24)10-23(12)5-6-25/h8-9,12-14,25H,3-7,10-11H2,1-2H3,(H,21,22)/t12-,13-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human ORL1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50260631
PNG
(2-(4-(6-chloro-2-(pentan-3-ylthio)-3H-benzo[d]imid...)
Show SMILES CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)C(C)(C)C1
Show InChI InChI=1S/C20H31ClN4OS/c1-5-14(6-2)27-19-22-16-11-15(21)18(12-17(16)23-19)24-7-8-25(9-10-26)20(3,4)13-24/h11-12,14,26H,5-10,13H2,1-4H3,(H,22,23)
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n/an/a 59n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human ORL1 receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50260633
PNG
((S)-2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]i...)
Show SMILES C[C@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m0/s1
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n/an/a 67n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphin from human mu opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50260631
PNG
(2-(4-(6-chloro-2-(pentan-3-ylthio)-3H-benzo[d]imid...)
Show SMILES CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)C(C)(C)C1
Show InChI InChI=1S/C20H31ClN4OS/c1-5-14(6-2)27-19-22-16-11-15(21)18(12-17(16)23-19)24-7-8-25(9-10-26)20(3,4)13-24/h11-12,14,26H,5-10,13H2,1-4H3,(H,22,23)
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n/an/a 73n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-NC/OFQ from human ORL1 receptor


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM29995
PNG
(CHEMBL494350 | benzimidazole-based antagonist, 1)
Show SMILES C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m1/s1
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n/an/a 97n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cell membrane by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50239754
PNG
(2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]imida...)
Show SMILES CC(C)(C)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
Show InChI InChI=1S/C17H25ClN4OS/c1-17(2,3)24-16-19-13-10-12(18)15(11-14(13)20-16)22-6-4-21(5-7-22)8-9-23/h10-11,23H,4-9H2,1-3H3,(H,19,20)
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n/an/a 120n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human kappa opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM29995
PNG
(CHEMBL494350 | benzimidazole-based antagonist, 1)
Show SMILES C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human kappa opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM29995
PNG
(CHEMBL494350 | benzimidazole-based antagonist, 1)
Show SMILES C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membrane by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50260633
PNG
((S)-2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]i...)
Show SMILES C[C@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m0/s1
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n/an/a 238n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50239754
PNG
(2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]imida...)
Show SMILES CC(C)(C)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
Show InChI InChI=1S/C17H25ClN4OS/c1-17(2,3)24-16-19-13-10-12(18)15(11-14(13)20-16)22-6-4-21(5-7-22)8-9-23/h10-11,23H,4-9H2,1-3H3,(H,19,20)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM29995
PNG
(CHEMBL494350 | benzimidazole-based antagonist, 1)
Show SMILES C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM29995
PNG
(CHEMBL494350 | benzimidazole-based antagonist, 1)
Show SMILES C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cell membrane by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM29995
PNG
(CHEMBL494350 | benzimidazole-based antagonist, 1)
Show SMILES C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphin from human mu opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50239754
PNG
(2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]imida...)
Show SMILES CC(C)(C)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
Show InChI InChI=1S/C17H25ClN4OS/c1-17(2,3)24-16-19-13-10-12(18)15(11-14(13)20-16)22-6-4-21(5-7-22)8-9-23/h10-11,23H,4-9H2,1-3H3,(H,19,20)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphin from human mu opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50260633
PNG
((S)-2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]i...)
Show SMILES C[C@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m0/s1
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n/an/an/an/a 18n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membrane by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50260633
PNG
((S)-2-(4-(2-(tert-butylthio)-6-chloro-3H-benzo[d]i...)
Show SMILES C[C@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
Show InChI InChI=1S/C18H27ClN4OS/c1-12-11-22(7-8-24)5-6-23(12)16-10-15-14(9-13(16)19)20-17(21-15)25-18(2,3)4/h9-10,12,24H,5-8,11H2,1-4H3,(H,20,21)/t12-/m0/s1
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n/an/an/an/a 14n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cell membrane by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 3282-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.037
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%