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21 similar compounds to monomer 50239752

Compile data set for download or QSAR
Wt: 382.9
BDBM29995
Wt: 366.9
BDBM29996
Wt: 402.9
BDBM29997
Wt: 420.9
BDBM29998
Wt: 377.9
BDBM29999
Wt: 391.9
BDBM30000
Wt: 394.9
BDBM30001
Wt: 352.9
BDBM30002
Wt: 440.0
BDBM30003
Wt: 471.0
BDBM30013
Wt: 382.9
BDBM50239745
Wt: 396.9
BDBM50239749
Wt: 368.9
BDBM50239754
Wt: 396.9
BDBM50260630
Wt: 411.0
BDBM50260631
Displayed 1 to 15 (of 21 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 52 hits for monomerid = 29995,29996,29997,29998,29999,30000,30001,30002,30003,30013,50239745,50239749,50239754,50260630,50260631   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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
Show InChI InChI=1/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-/s2
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PubMed
n/an/a 2.60n/a 0.650n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3100-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.022
BindingDB Entry DOI: 10.7270/Q20R9MRX
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(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 170n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 3278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.054
BindingDB Entry DOI: 10.7270/Q2HT2Q57
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM29997
PNG
(benzimidazole analogue, 5b)
Show SMILES C[C@@H]1CN(CC(F)F)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl
Show InChI InChI=1/C18H25ClF2N4S/c1-11-9-24(10-16(20)21)5-6-25(11)15-8-14-13(7-12(15)19)22-17(23-14)26-18(2,3)4/h7-8,11,16H,5-6,9-10H2,1-4H3,(H,22,23)/t11-/s2
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n/an/a 23n/an/an/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3100-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.022
BindingDB Entry DOI: 10.7270/Q20R9MRX
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM29998
PNG
(benzimidazole analogue, 5c)
Show SMILES C[C@@H]1CN(CC(F)(F)F)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl
Show InChI InChI=1/C18H24ClF3N4S/c1-11-9-25(10-18(20,21)22)5-6-26(11)15-8-14-13(7-12(15)19)23-16(24-14)27-17(2,3)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,23,24)/t11-/s2
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n/an/a 630n/an/an/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3100-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.022
BindingDB Entry DOI: 10.7270/Q20R9MRX
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM29999
PNG
(benzimidazole analogue, 5d)
Show SMILES C[C@@H]1CN(CC#N)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl
Show InChI InChI=1/C18H24ClN5S/c1-12-11-23(6-5-20)7-8-24(12)16-10-15-14(9-13(16)19)21-17(22-15)25-18(2,3)4/h9-10,12H,6-8,11H2,1-4H3,(H,21,22)/t12-/s2
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n/an/a 61n/an/an/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3100-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.022
BindingDB Entry DOI: 10.7270/Q20R9MRX
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM30000
PNG
(benzimidazole analogue, 5e)
Show SMILES C[C@@H]1CN(CCC#N)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl
Show InChI InChI=1/C19H26ClN5S/c1-13-12-24(7-5-6-21)8-9-25(13)17-11-16-15(10-14(17)20)22-18(23-16)26-19(2,3)4/h10-11,13H,5,7-9,12H2,1-4H3,(H,22,23)/t13-/s2
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n/an/a 27n/a 6.40n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3100-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.022
BindingDB Entry DOI: 10.7270/Q20R9MRX
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM30001
PNG
(benzimidazole analogue, 5f)
Show SMILES C[C@@H]1CN(CC(C)=O)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl
Show InChI InChI=1/C19H27ClN4OS/c1-12-10-23(11-13(2)25)6-7-24(12)17-9-16-15(8-14(17)20)21-18(22-16)26-19(3,4)5/h8-9,12H,6-7,10-11H2,1-5H3,(H,21,22)/t12-/s2
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n/an/a 38n/a 41n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3100-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.022
BindingDB Entry DOI: 10.7270/Q20R9MRX
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM30002
PNG
(benzimidazole analogue, 7a)
Show SMILES CCN1CCN(CC1)c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl
Show InChI InChI=1S/C17H25ClN4S/c1-5-21-6-8-22(9-7-21)15-11-14-13(10-12(15)18)19-16(20-14)23-17(2,3)4/h10-11H,5-9H2,1-4H3,(H,19,20)
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n/an/a 22n/an/an/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3100-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.022
BindingDB Entry DOI: 10.7270/Q20R9MRX
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM30003
PNG
(benzimidazole analogue, 7b)
Show SMILES CCN1CCN(CC1)c1cc2[nH]c(SC(C)(C)CCNC(=O)OC)nc2cc1Cl
Show InChI InChI=1S/C20H30ClN5O2S/c1-5-25-8-10-26(11-9-25)17-13-16-15(12-14(17)21)23-18(24-16)29-20(2,3)6-7-22-19(27)28-4/h12-13H,5-11H2,1-4H3,(H,22,27)(H,23,24)
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n/an/a 21n/a 8.60n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3100-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.022
BindingDB Entry DOI: 10.7270/Q20R9MRX
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM30013
PNG
(benzimidazole analogue, 7l)
Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)S(C)(=O)=O)nc2cc1Cl
Show InChI InChI=1/C21H31ClN4O2S2/c1-4-25-9-11-26(12-10-25)19-14-18-17(13-16(19)22)23-20(24-18)29-21(2)7-5-15(6-8-21)30(3,27)28/h13-15H,4-12H2,1-3H3,(H,23,24)/t15-,21-
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n/an/a 6.90n/a 4n/an/a7.437



Banyu Pharmaceutical Co.



Assay Description
Compounds were tested for their inhibitory effects on ligand binding to the human ORL1 receptor. Bound and free radioligands are separated by filtra...


Bioorg Med Chem Lett 19: 3100-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.022
BindingDB Entry DOI: 10.7270/Q20R9MRX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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
Show InChI InChI=1/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-/s2
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n/an/a 1.60E+3n/an/an/an/an/an/a



Banyu Pharmaceutical Co.



Assay Description
Binding affinity to the hERG K+ channel was measured by displacement of [35S]-radiolabeled MK499 in membranes derived from HEK 293 cells stably trans...


Bioorg Med Chem Lett 19: 3100-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.022
BindingDB Entry DOI: 10.7270/Q20R9MRX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM29996
PNG
(benzimidazole analogue, 5a)
Show SMILES CCN1CCN([C@H](C)C1)c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl
Show InChI InChI=1/C18H27ClN4S/c1-6-22-7-8-23(12(2)11-22)16-10-15-14(9-13(16)19)20-17(21-15)24-18(3,4)5/h9-10,12H,6-8,11H2,1-5H3,(H,20,21)/t12-/s2
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n/an/a 990n/an/an/an/an/an/a



Banyu Pharmaceutical Co.



Assay Description
Binding affinity to the hERG K+ channel was measured by displacement of [35S]-radiolabeled MK499 in membranes derived from HEK 293 cells stably trans...


Bioorg Med Chem Lett 19: 3100-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.022
BindingDB Entry DOI: 10.7270/Q20R9MRX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM29997
PNG
(benzimidazole analogue, 5b)
Show SMILES C[C@@H]1CN(CC(F)F)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl
Show InChI InChI=1/C18H25ClF2N4S/c1-11-9-24(10-16(20)21)5-6-25(11)15-8-14-13(7-12(15)19)22-17(23-14)26-18(2,3)4/h7-8,11,16H,5-6,9-10H2,1-4H3,(H,22,23)/t11-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Banyu Pharmaceutical Co.



Assay Description
Binding affinity to the hERG K+ channel was measured by displacement of [35S]-radiolabeled MK499 in membranes derived from HEK 293 cells stably trans...


Bioorg Med Chem Lett 19: 3100-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.022
BindingDB Entry DOI: 10.7270/Q20R9MRX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM29999
PNG
(benzimidazole analogue, 5d)
Show SMILES C[C@@H]1CN(CC#N)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl
Show InChI InChI=1/C18H24ClN5S/c1-12-11-23(6-5-20)7-8-24(12)16-10-15-14(9-13(16)19)21-17(22-15)25-18(2,3)4/h9-10,12H,6-8,11H2,1-4H3,(H,21,22)/t12-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Banyu Pharmaceutical Co.



Assay Description
Binding affinity to the hERG K+ channel was measured by displacement of [35S]-radiolabeled MK499 in membranes derived from HEK 293 cells stably trans...


Bioorg Med Chem Lett 19: 3100-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.022
BindingDB Entry DOI: 10.7270/Q20R9MRX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM30000
PNG
(benzimidazole analogue, 5e)
Show SMILES C[C@@H]1CN(CCC#N)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl
Show InChI InChI=1/C19H26ClN5S/c1-13-12-24(7-5-6-21)8-9-25(13)17-11-16-15(10-14(17)20)22-18(23-16)26-19(2,3)4/h10-11,13H,5,7-9,12H2,1-4H3,(H,22,23)/t13-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Banyu Pharmaceutical Co.



Assay Description
Binding affinity to the hERG K+ channel was measured by displacement of [35S]-radiolabeled MK499 in membranes derived from HEK 293 cells stably trans...


Bioorg Med Chem Lett 19: 3100-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.022
BindingDB Entry DOI: 10.7270/Q20R9MRX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM30001
PNG
(benzimidazole analogue, 5f)
Show SMILES C[C@@H]1CN(CC(C)=O)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl
Show InChI InChI=1/C19H27ClN4OS/c1-12-10-23(11-13(2)25)6-7-24(12)17-9-16-15(8-14(17)20)21-18(22-16)26-19(3,4)5/h8-9,12H,6-7,10-11H2,1-5H3,(H,21,22)/t12-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Banyu Pharmaceutical Co.



Assay Description
Binding affinity to the hERG K+ channel was measured by displacement of [35S]-radiolabeled MK499 in membranes derived from HEK 293 cells stably trans...


Bioorg Med Chem Lett 19: 3100-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.022
BindingDB Entry DOI: 10.7270/Q20R9MRX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM30013
PNG
(benzimidazole analogue, 7l)
Show SMILES CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)S(C)(=O)=O)nc2cc1Cl
Show InChI InChI=1/C21H31ClN4O2S2/c1-4-25-9-11-26(12-10-25)19-14-18-17(13-16(19)22)23-20(24-18)29-21(2)7-5-15(6-8-21)30(3,27)28/h13-15H,4-12H2,1-3H3,(H,23,24)/t15-,21-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Banyu Pharmaceutical Co.



Assay Description
Binding affinity to the hERG K+ channel was measured by displacement of [35S]-radiolabeled MK499 in membranes derived from HEK 293 cells stably trans...


Bioorg Med Chem Lett 19: 3100-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.022
BindingDB Entry DOI: 10.7270/Q20R9MRX
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
Show InChI InChI=1/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-/s2
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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
BindingDB Entry DOI: 10.7270/Q2542NDJ
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
BindingDB Entry DOI: 10.7270/Q2542NDJ
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=1/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
BindingDB Entry DOI: 10.7270/Q2542NDJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/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
Show InChI InChI=1/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-/s2
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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
BindingDB Entry DOI: 10.7270/Q2542NDJ
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(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
Show InChI InChI=1/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-/s2
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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
BindingDB Entry DOI: 10.7270/Q2542NDJ
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
Show InChI InChI=1/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-/s2
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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
BindingDB Entry DOI: 10.7270/Q2542NDJ
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
BindingDB Entry DOI: 10.7270/Q2542NDJ
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
Show InChI InChI=1/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-/s2
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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
BindingDB Entry DOI: 10.7270/Q2542NDJ
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
BindingDB Entry DOI: 10.7270/Q2542NDJ
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
BindingDB Entry DOI: 10.7270/Q2542NDJ
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
BindingDB Entry DOI: 10.7270/Q2542NDJ
More data for this
Ligand-Target Pair
Delta-type opioid 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>1.00E+3n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 3278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.054
BindingDB Entry DOI: 10.7270/Q2HT2Q57
More data for this
Ligand-Target Pair
Delta-type opioid 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>1.00E+3n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 3278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.054
BindingDB Entry DOI: 10.7270/Q2HT2Q57
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 expressed in CHO cell membrane by [35S]GTP-gamma-S binding assay


Bioorg Med Chem Lett 18: 3278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.054
BindingDB Entry DOI: 10.7270/Q2HT2Q57
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 from human ORL1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 3278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.054
BindingDB Entry DOI: 10.7270/Q2HT2Q57
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 from human ORL1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 3278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.054
BindingDB Entry DOI: 10.7270/Q2HT2Q57
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/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
BindingDB Entry DOI: 10.7270/Q2542NDJ
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(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
BindingDB Entry DOI: 10.7270/Q2542NDJ
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
BindingDB Entry DOI: 10.7270/Q2542NDJ
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
Show InChI InChI=1/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-/s2
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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
BindingDB Entry DOI: 10.7270/Q2542NDJ
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=1/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
BindingDB Entry DOI: 10.7270/Q2542NDJ
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
BindingDB Entry DOI: 10.7270/Q2542NDJ
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
BindingDB Entry DOI: 10.7270/Q2542NDJ
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
BindingDB Entry DOI: 10.7270/Q2542NDJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/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
Show InChI InChI=1/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-/s2
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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
BindingDB Entry DOI: 10.7270/Q2542NDJ
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(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
Show InChI InChI=1/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-/s2
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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
BindingDB Entry DOI: 10.7270/Q2542NDJ
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 from human ORL1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 3278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.054
BindingDB Entry DOI: 10.7270/Q2HT2Q57
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 expressed in CHO cell membrane by [35S]GTP-gamma-S binding assay


Bioorg Med Chem Lett 18: 3278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.054
BindingDB Entry DOI: 10.7270/Q2HT2Q57
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 expressed in CHO cell membrane by [35S]GTP-gamma-S binding assay


Bioorg Med Chem Lett 18: 3278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.054
BindingDB Entry DOI: 10.7270/Q2HT2Q57
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid 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 3.10E+3n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 3278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.054
BindingDB Entry DOI: 10.7270/Q2HT2Q57
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid 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 2.80E+3n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 3278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.054
BindingDB Entry DOI: 10.7270/Q2HT2Q57
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/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 cloned mu opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 3278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.054
BindingDB Entry DOI: 10.7270/Q2HT2Q57
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(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 cloned kappa opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 3278-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.054
BindingDB Entry DOI: 10.7270/Q2HT2Q57
More data for this
Ligand-Target Pair
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