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Compile Data Set for Download or QSAR

Found 513 hits with Last Name = 'cui' and Initial = 'x'   
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))
BDBM50258880
PNG
(8-(dio-tolylmethyl)-3-phenyl-8-azabicyclo[3.2.1]oc...)
Show SMILES Cc1ccccc1C(N1C2CCC1CC(O)(C2)c1ccccc1)c1ccccc1C
Show InChI InChI=1/C28H31NO/c1-20-10-6-8-14-25(20)27(26-15-9-7-11-21(26)2)29-23-16-17-24(29)19-28(30,18-23)22-12-4-3-5-13-22/h3-15,23-24,27,30H,16-19H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259236
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1
Show InChI InChI=1/C27H26Cl2N2O/c28-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)29)31-19-14-15-20(31)17-27(16-19,26(30)32)18-8-2-1-3-9-18/h1-13,19-20,25H,14-17H2,(H2,30,32)
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1.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259056
PNG
(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl...)
Show SMILES Cc1ccc(C(N2C3CCC2CC(O)(C3)C2CCCC2)c2ccccc2Cl)c(Cl)c1
Show InChI InChI=1/C26H31Cl2NO/c1-17-10-13-22(24(28)14-17)25(21-8-4-5-9-23(21)27)29-19-11-12-20(29)16-26(30,15-19)18-6-2-3-7-18/h4-5,8-10,13-14,18-20,25,30H,2-3,6-7,11-12,15-16H2,1H3
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1.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259239
PNG
(1-(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabic...)
Show SMILES CNC(=O)NC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1
Show InChI InChI=1/C28H29Cl2N3O/c1-31-27(34)32-28(19-9-3-2-4-10-19)17-20-15-16-21(18-28)33(20)26(22-11-5-7-13-24(22)29)23-12-6-8-14-25(23)30/h2-14,20-21,26H,15-18H2,1H3,(H2,31,32,34)
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2n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50258878
PNG
(8-benzhydryl-3-phenyl-8-azabicyclo[3.2.1]octan-3-o...)
Show SMILES OC1(CC2CCC(C1)N2C(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1/C26H27NO/c28-26(22-14-8-3-9-15-22)18-23-16-17-24(19-26)27(23)25(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,23-25,28H,16-19H2
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2.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259053
PNG
(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl...)
Show SMILES Cc1ccc(C(N2C3CCC2CC(O)(C3)c2cccc(F)c2)c2ccccc2Cl)c(Cl)c1
Show InChI InChI=1/C27H26Cl2FNO/c1-17-9-12-23(25(29)13-17)26(22-7-2-3-8-24(22)28)31-20-10-11-21(31)16-27(32,15-20)18-5-4-6-19(30)14-18/h2-9,12-14,20-21,26,32H,10-11,15-16H2,1H3
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2.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259193
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES OC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1
Show InChI InChI=1/C27H25Cl2NO2/c28-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)29)30-19-14-15-20(30)17-27(16-19,26(31)32)18-8-2-1-3-9-18/h1-13,19-20,25H,14-17H2,(H,31,32)
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3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259103
PNG
(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl...)
Show SMILES Cc1ccc(C(N2C3CCC2CC(O)(C3)C2=NCCCN2)c2ccccc2Cl)c(Cl)c1
Show InChI InChI=1/C25H29Cl2N3O/c1-16-7-10-20(22(27)13-16)23(19-5-2-3-6-21(19)26)30-17-8-9-18(30)15-25(31,14-17)24-28-11-4-12-29-24/h2-3,5-7,10,13,17-18,23,31H,4,8-9,11-12,14-15H2,1H3,(H,28,29)
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3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259013
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(pyridin-3-yl)-8-a...)
Show SMILES OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cccnc1
Show InChI InChI=1/C25H24Cl2N2O/c26-22-9-3-1-7-20(22)24(21-8-2-4-10-23(21)27)29-18-11-12-19(29)15-25(30,14-18)17-6-5-13-28-16-17/h1-10,13,16,18-19,24,30H,11-12,14-15H2
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3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50258881
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1
Show InChI InChI=1/C26H25Cl2NO/c27-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)28)29-19-14-15-20(29)17-26(30,16-19)18-8-2-1-3-9-18/h1-13,19-20,25,30H,14-17H2
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3.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259101
PNG
(3-(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)met...)
Show SMILES Cc1ccc(C(N2C3CCC2CC(O)(C3)C2CCNC2=O)c2ccccc2Cl)c(Cl)c1
Show InChI InChI=1/C25H28Cl2N2O2/c1-15-6-9-19(22(27)12-15)23(18-4-2-3-5-21(18)26)29-16-7-8-17(29)14-25(31,13-16)20-10-11-28-24(20)30/h2-6,9,12,16-17,20,23,31H,7-8,10-11,13-14H2,1H3,(H,28,30)
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3.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259238
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES NC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1
Show InChI InChI=1/C26H26Cl2N2/c27-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)28)30-19-14-15-20(30)17-26(29,16-19)18-8-2-1-3-9-18/h1-13,19-20,25H,14-17,29H2
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4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259401
PNG
(8-(bis(2-chlorophenyl)methyl)-N-methyl-3-phenyl-8-...)
Show SMILES CNC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1
Show InChI InChI=1/C28H28Cl2N2O/c1-31-27(33)28(19-9-3-2-4-10-19)17-20-15-16-21(18-28)32(20)26(22-11-5-7-13-24(22)29)23-12-6-8-14-25(23)30/h2-14,20-21,26H,15-18H2,1H3,(H,31,33)
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4.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259054
PNG
(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl...)
Show SMILES Cc1ccc(C(N2C3CCC2CC(O)(C3)c2ccncn2)c2ccccc2Cl)c(Cl)c1
Show InChI InChI=1/C25H25Cl2N3O/c1-16-6-9-20(22(27)12-16)24(19-4-2-3-5-21(19)26)30-17-7-8-18(30)14-25(31,13-17)23-10-11-28-15-29-23/h2-6,9-12,15,17-18,24,31H,7-8,13-14H2,1H3
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5.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259284
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-3-(1H-1,2,4...)
Show SMILES Clc1ccccc1C(N1C2CCC1CC(C2)(c1nnc[nH]1)c1ccccc1)c1ccccc1Cl
Show InChI InChI=1/C28H26Cl2N4/c29-24-12-6-4-10-22(24)26(23-11-5-7-13-25(23)30)34-20-14-15-21(34)17-28(16-20,27-31-18-32-33-27)19-8-2-1-3-9-19/h1-13,18,20-21,26H,14-17H2,(H,31,32,33)
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5.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259237
PNG
(CHEMBL467313 | methyl 8-(bis(2-chlorophenyl)methyl...)
Show SMILES COC(=O)NC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1
Show InChI InChI=1/C28H28Cl2N2O2/c1-34-27(33)31-28(19-9-3-2-4-10-19)17-20-15-16-21(18-28)32(20)26(22-11-5-7-13-24(22)29)23-12-6-8-14-25(23)30/h2-14,20-21,26H,15-18H2,1H3,(H,31,33)
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6n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259190
PNG
((8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicyc...)
Show SMILES OCC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1
Show InChI InChI=1/C27H27Cl2NO/c28-24-12-6-4-10-22(24)26(23-11-5-7-13-25(23)29)30-20-14-15-21(30)17-27(16-20,18-31)19-8-2-1-3-9-19/h1-13,20-21,26,31H,14-18H2
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6n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259402
PNG
(8-(bis(2-chlorophenyl)methyl)-N-ethyl-3-phenyl-8-a...)
Show SMILES CCNC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1
Show InChI InChI=1/C29H30Cl2N2O/c1-2-32-28(34)29(20-10-4-3-5-11-20)18-21-16-17-22(19-29)33(21)27(23-12-6-8-14-25(23)30)24-13-7-9-15-26(24)31/h3-15,21-22,27H,2,16-19H2,1H3,(H,32,34)
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7n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259014
PNG
(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl...)
Show SMILES Cc1ccnc(c1)C1(O)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccc(C)cc1Cl
Show InChI InChI=1/C27H28Cl2N2O/c1-17-7-10-22(24(29)13-17)26(21-5-3-4-6-23(21)28)31-19-8-9-20(31)16-27(32,15-19)25-14-18(2)11-12-30-25/h3-7,10-14,19-20,26,32H,8-9,15-16H2,1-2H3
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7.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259104
PNG
(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl...)
Show SMILES Cc1ccc(C(N2C3CCC2CC(O)(CCCO)C3)c2ccccc2Cl)c(Cl)c1
Show InChI InChI=1/C24H29Cl2NO2/c1-16-7-10-20(22(26)13-16)23(19-5-2-3-6-21(19)25)27-17-8-9-18(27)15-24(29,14-17)11-4-12-28/h2-3,5-7,10,13,17-18,23,28-29H,4,8-9,11-12,14-15H2,1H3
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7.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50258879
PNG
(9-benzhydryl-3-phenyl-9-azabicyclo[3.3.1]nonan-3-o...)
Show SMILES OC1(CC2CCCC(C1)N2C(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1/C27H29NO/c29-27(23-15-8-3-9-16-23)19-24-17-10-18-25(20-27)28(24)26(21-11-4-1-5-12-21)22-13-6-2-7-14-22/h1-9,11-16,24-26,29H,10,17-20H2
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7.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12287
PNG
(SCH 491762 | tert-butyl N-[(1S)-2-[(1R,2S,5S)-2-[(...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C
Show InChI InChI=1/C29H46N4O6/c1-28(2,3)39-27(38)32-21(17-12-7-6-8-13-17)26(37)33-15-18-20(29(18,4)5)22(33)25(36)31-19(23(34)24(30)35)14-16-10-9-11-16/h16-22H,6-15H2,1-5H3,(H2,30,35)(H,31,36)(H,32,38)/t18-,19?,20-,21-,22-/s2
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8n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259147
PNG
(8-(bis(2-chlorophenyl)methyl)-3-methoxy-3-phenyl-8...)
Show SMILES COC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1
Show InChI InChI=1/C27H27Cl2NO/c1-31-27(19-9-3-2-4-10-19)17-20-15-16-21(18-27)30(20)26(22-11-5-7-13-24(22)28)23-12-6-8-14-25(23)29/h2-14,20-21,26H,15-18H2,1H3
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8n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259515
PNG
(8-(bis(2-chlorophenyl)methyl)-N-(2-methoxyethyl)-3...)
Show SMILES COCCNC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1
Show InChI InChI=1/C30H32Cl2N2O2/c1-36-18-17-33-29(35)30(21-9-3-2-4-10-21)19-22-15-16-23(20-30)34(22)28(24-11-5-7-13-26(24)31)25-12-6-8-14-27(25)32/h2-14,22-23,28H,15-20H2,1H3,(H,33,35)
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8.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259403
PNG
(8-(bis(2-chlorophenyl)methyl)-N-isopropyl-3-phenyl...)
Show SMILES CC(C)NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1
Show InChI InChI=1/C30H32Cl2N2O/c1-20(2)33-29(35)30(21-10-4-3-5-11-21)18-22-16-17-23(19-30)34(22)28(24-12-6-8-14-26(24)31)25-13-7-9-15-27(25)32/h3-15,20,22-23,28H,16-19H2,1-2H3,(H,33,35)
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10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259516
PNG
(8-(bis(2-chlorophenyl)methyl)-N-(2-hydroxypropyl)-...)
Show SMILES CC(O)CNC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1
Show InChI InChI=1/C30H32Cl2N2O2/c1-20(35)19-33-29(36)30(21-9-3-2-4-10-21)17-22-15-16-23(18-30)34(22)28(24-11-5-7-13-26(24)31)25-12-6-8-14-27(25)32/h2-14,20,22-23,28,35H,15-19H2,1H3,(H,33,36)
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11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259283
PNG
(CHEMBL466919 | N-(8-(bis(2-chlorophenyl)methyl)-3-...)
Show SMILES Clc1ccccc1C(N1C2CCC1CC(C2)(NC(=O)C1CC1)c1ccccc1)c1ccccc1Cl
Show InChI InChI=1/C30H30Cl2N2O/c31-26-12-6-4-10-24(26)28(25-11-5-7-13-27(25)32)34-22-16-17-23(34)19-30(18-22,21-8-2-1-3-9-21)33-29(35)20-14-15-20/h1-13,20,22-23,28H,14-19H2,(H,33,35)
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11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12309
PNG
((1R,5S)-N-[3-amino-1-(cyclopropylmethyl)-2,3-dioxo...)
Show SMILES CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C
Show InChI InChI=1/C26H43N5O5/c1-24(2,3)19(29-23(36)30-25(4,5)6)22(35)31-12-14-16(26(14,7)8)17(31)21(34)28-15(11-13-9-10-13)18(32)20(27)33/h13-17,19H,9-12H2,1-8H3,(H2,27,33)(H,28,34)(H2,29,30,36)/t14-,15?,16-,17-,19+/s2
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13n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50210223
PNG
(1-benzhydryl-4-phenylpiperidin-4-ol | CHEMBL228690)
Show SMILES OC1(CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H25NO/c26-24(22-14-8-3-9-15-22)16-18-25(19-17-24)23(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,23,26H,16-19H2
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13n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259055
PNG
(8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl...)
Show SMILES COc1ccc(CC2(O)CC3CCC(C2)N3C(c2ccccc2Cl)c2ccc(C)cc2Cl)nc1
Show InChI InChI=1/C28H30Cl2N2O2/c1-18-7-12-24(26(30)13-18)27(23-5-3-4-6-25(23)29)32-20-9-10-21(32)16-28(33,15-20)14-19-8-11-22(34-2)17-31-19/h3-8,11-13,17,20-21,27,33H,9-10,14-16H2,1-2H3
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13n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259102
PNG
(3-(1-benzylpyrrolidin-2-yl)-8-((2-chloro-4-methylp...)
Show SMILES Cc1ccc(C(N2C3CCC2CC(O)(C3)C2CCCN2Cc2ccccc2)c2ccccc2Cl)c(Cl)c1
Show InChI InChI=1/C32H36Cl2N2O/c1-22-13-16-27(29(34)18-22)31(26-10-5-6-11-28(26)33)36-24-14-15-25(36)20-32(37,19-24)30-12-7-17-35(30)21-23-8-3-2-4-9-23/h2-6,8-11,13,16,18,24-25,30-31,37H,7,12,14-15,17,19-21H2,1H3
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14n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12311
PNG
((1R,5S)-N-[3-Amino-1-(cyclobutylmethyl)-2,3-dioxop...)
Show SMILES CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C
Show InChI InChI=1/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16?,17-,18-,20+/s2
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14n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259286
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(4-fluorophenyl)-8...)
Show SMILES NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccc(F)cc1
Show InChI InChI=1/C27H25Cl2FN2O/c28-23-7-3-1-5-21(23)25(22-6-2-4-8-24(22)29)32-19-13-14-20(32)16-27(15-19,26(31)33)17-9-11-18(30)12-10-17/h1-12,19-20,25H,13-16H2,(H2,31,33)
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16n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12307
PNG
((1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxop...)
Show SMILES CC(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C
Show InChI InChI=1/C26H43N5O5/c1-13(2)28-24(36)30-20(25(3,4)5)23(35)31-12-15-17(26(15,6)7)18(31)22(34)29-16(19(32)21(27)33)11-14-9-8-10-14/h13-18,20H,8-12H2,1-7H3,(H2,27,33)(H,29,34)(H2,28,30,36)/t15-,16?,17-,18-,20+/s2
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16n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259285
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES Clc1ccccc1C(N1C2CCC1CC(CN=O)(C2)c1ccccc1)c1ccccc1Cl
Show InChI InChI=1/C27H26Cl2N2O/c28-24-12-6-4-10-22(24)26(23-11-5-7-13-25(23)29)31-20-14-15-21(31)17-27(16-20,18-30-32)19-8-2-1-3-9-19/h1-13,20-21,26H,14-18H2
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20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50258881
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1
Show InChI InChI=1/C26H25Cl2NO/c27-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)28)29-19-14-15-20(29)17-26(30,16-19)18-8-2-1-3-9-18/h1-13,19-20,25,30H,14-17H2
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22n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259351
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(cc1)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)C(N)=O
Show InChI InChI=1/C28H28Cl2N2O2/c1-34-21-14-10-18(11-15-21)28(27(31)33)16-19-12-13-20(17-28)32(19)26(22-6-2-4-8-24(22)29)23-7-3-5-9-25(23)30/h2-11,14-15,19-20,26H,12-13,16-17H2,1H3,(H2,31,33)
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22n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12286
PNG
(1,1-Dimethylethyl-[1(S)-cyclohexyl-2-[(1R,5S)-2(S)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C
Show InChI InChI=1/C28H44N4O6/c1-27(2,3)38-26(37)31-20(16-9-7-6-8-10-16)25(36)32-14-17-19(28(17,4)5)21(32)24(35)30-18(13-15-11-12-15)22(33)23(29)34/h15-21H,6-14H2,1-5H3,(H2,29,34)(H,30,35)(H,31,37)/t17-,18?,19-,20-,21-/s2
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25n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259239
PNG
(1-(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabic...)
Show SMILES CNC(=O)NC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1
Show InChI InChI=1/C28H29Cl2N3O/c1-31-27(34)32-28(19-9-3-2-4-10-19)17-20-15-16-21(18-28)33(20)26(22-11-5-7-13-24(22)29)23-12-6-8-14-25(23)30/h2-14,20-21,26H,15-18H2,1H3,(H2,31,32,34)
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27n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259349
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(4-chlorophenyl)-8...)
Show SMILES NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccc(Cl)cc1
Show InChI InChI=1/C27H25Cl3N2O/c28-18-11-9-17(10-12-18)27(26(31)33)15-19-13-14-20(16-27)32(19)25(21-5-1-3-7-23(21)29)22-6-2-4-8-24(22)30/h1-12,19-20,25H,13-16H2,(H2,31,33)
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31n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12308
PNG
((1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxop...)
Show SMILES C[C@@H](NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C)C(C)(C)C
Show InChI InChI=1/C29H49N5O5/c1-15(27(2,3)4)31-26(39)33-22(28(5,6)7)25(38)34-14-17-19(29(17,8)9)20(34)24(37)32-18(21(35)23(30)36)13-16-11-10-12-16/h15-20,22H,10-14H2,1-9H3,(H2,30,36)(H,32,37)(H2,31,33,39)/t15-,17+,18?,19+,20+,22-/s2
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35n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12305
PNG
((2R)-3-methylbutan-2-yl N-[(2S)-1-[(1R,2S,5S)-2-[(...)
Show SMILES CC(C)[C@@H](C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C
Show InChI InChI=1/C28H46N4O6/c1-14(2)15(3)38-26(37)31-22(27(4,5)6)25(36)32-13-17-19(28(17,7)8)20(32)24(35)30-18(21(33)23(29)34)12-16-10-9-11-16/h14-20,22H,9-13H2,1-8H3,(H2,29,34)(H,30,35)(H,31,37)/t15-,17+,18?,19+,20+,22-/s2
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36n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259236
PNG
(8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicycl...)
Show SMILES NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1
Show InChI InChI=1/C27H26Cl2N2O/c28-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)29)31-19-14-15-20(31)17-27(16-19,26(30)32)18-8-2-1-3-9-18/h1-13,19-20,25H,14-17H2,(H2,30,32)
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38n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50259350
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(4-bromophenyl)-8-...)
Show SMILES NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccc(Br)cc1
Show InChI InChI=1/C27H25BrCl2N2O/c28-18-11-9-17(10-12-18)27(26(31)33)15-19-13-14-20(16-27)32(19)25(21-5-1-3-7-23(21)29)22-6-2-4-8-24(22)30/h1-12,19-20,25H,13-16H2,(H2,31,33)
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40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259013
PNG
(8-(bis(2-chlorophenyl)methyl)-3-(pyridin-3-yl)-8-a...)
Show SMILES OC1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1cccnc1
Show InChI InChI=1/C25H24Cl2N2O/c26-22-9-3-1-7-20(22)24(21-8-2-4-10-23(21)27)29-18-11-12-19(29)15-25(30,14-18)17-6-5-13-28-16-17/h1-10,13,16,18-19,24,30H,11-12,14-15H2
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42n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50259401
PNG
(8-(bis(2-chlorophenyl)methyl)-N-methyl-3-phenyl-8-...)
Show SMILES CNC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1
Show InChI InChI=1/C28H28Cl2N2O/c1-31-27(33)28(19-9-3-2-4-10-19)17-20-15-16-21(18-28)32(20)26(22-11-5-7-13-24(22)29)23-12-6-8-14-25(23)30/h2-14,20-21,26H,15-18H2,1H3,(H,31,33)
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50n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 2519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.031
BindingDB Entry DOI: 10.7270/Q20V8CPS
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12315
PNG
((1R,5S)-N-[3-Amino-1-(cyclobutylmethyl)-2,3-dioxop...)
Show SMILES CC(C)(C)NC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C
Show InChI InChI=1/C29H47N5O5/c1-28(2,3)33-27(39)32-21(17-12-7-6-8-13-17)26(38)34-15-18-20(29(18,4)5)22(34)25(37)31-19(23(35)24(30)36)14-16-10-9-11-16/h16-22H,6-15H2,1-5H3,(H2,30,36)(H,31,37)(H2,32,33,39)/t18-,19?,20-,21-,22-/s2
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50n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12314
PNG
((1R,5S)-N-[3-amino-1-(cyclopropylmethyl)-2,3-dioxo...)
Show SMILES CC(C)(C)NC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C
Show InChI InChI=1/C28H45N5O5/c1-27(2,3)32-26(38)31-20(16-9-7-6-8-10-16)25(37)33-14-17-19(28(17,4)5)21(33)24(36)30-18(13-15-11-12-15)22(34)23(29)35/h15-21H,6-14H2,1-5H3,(H2,29,35)(H,30,36)(H2,31,32,38)/t17-,18?,19-,20-,21-/s2
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50n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12292
PNG
(1,1-Dimethylethyl-[2-[(1R,5S)-2(S)-[[[1-(2-amino-1...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC(F)(F)F)C(=O)C(N)=O)C2(C)C
Show InChI InChI=1/C26H39F3N4O6/c1-24(2,3)39-23(38)32-17(13-9-7-6-8-10-13)22(37)33-12-14-16(25(14,4)5)18(33)21(36)31-15(11-26(27,28)29)19(34)20(30)35/h13-18H,6-12H2,1-5H3,(H2,30,35)(H,31,36)(H,32,38)/t14-,15?,16-,17-,18-/s2
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50n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM12274
PNG
(1-Methyl-1-Phenylethyl-[[3-[[[(1R,5S)-3-[(S)-cyclo...)
Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC(=O)OC(C)(C)c1ccccc1
Show InChI InChI=1/C38H56N4O8/c1-9-16-26(31(44)33(46)39-21-27(43)49-38(7,8)24-19-14-11-15-20-24)40-32(45)30-28-25(37(28,5)6)22-42(30)34(47)29(23-17-12-10-13-18-23)41-35(48)50-36(2,3)4/h11,14-15,19-20,23,25-26,28-30H,9-10,12-13,16-18,21-22H2,1-8H3,(H,39,46)(H,40,45)(H,41,48)/t25-,26?,28-,29-,30-/s2
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50 -42.4n/an/an/an/an/a6.530



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 49: 6074-86 (2006)


Article DOI: 10.1021/jm060325b
BindingDB Entry DOI: 10.7270/Q2DF6PF6
More data for this
Ligand-Target Pair
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