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Compile Data Set for Download or QSAR

Found 207 hits with Last Name = 'pullan' and Initial = 's'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50146518
PNG
((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H32FN3O4/c1-18(12-19-4-6-20(28)7-5-19)15-30-8-10-31(11-9-30)16-26-22-17-34-23-14-25(33-3)24(32-2)13-21(23)27(22)29-35-26/h4-7,12-14,22,26H,8-11,15-17H2,1-3H3/b18-12+/t22-,26-/m0/s1
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0.270n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]rawolscine from human cloned adrenergic Alpha-2C receptor transfected in CHO cells


Bioorg Med Chem 15: 3649-60 (2007)


Article DOI: 10.1016/j.bmc.2007.03.053
BindingDB Entry DOI: 10.7270/Q2BZ66VB
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50146518
PNG
((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H32FN3O4/c1-18(12-19-4-6-20(28)7-5-19)15-30-8-10-31(11-9-30)16-26-22-17-34-23-14-25(33-3)24(32-2)13-21(23)27(22)29-35-26/h4-7,12-14,22,26H,8-11,15-17H2,1-3H3/b18-12+/t22-,26-/m0/s1
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0.270n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]rawolscine from human cloned adrenergic Alpha-2C receptor transfected in CHO cells


Bioorg Med Chem 15: 3649-60 (2007)


Article DOI: 10.1016/j.bmc.2007.03.053
BindingDB Entry DOI: 10.7270/Q2BZ66VB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213387
PNG
(CHEMBL393965 | ethyl 4-(1-(4-(methoxycarbonyl)benz...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1nccn1Cc1ccc(cc1)C(=O)OC)c1ccccc1
Show InChI InChI=1S/C26H29N3O4/c1-3-33-25(31)28-16-13-26(14-17-28,22-7-5-4-6-8-22)24-27-15-18-29(24)19-20-9-11-21(12-10-20)23(30)32-2/h4-12,15,18H,3,13-14,16-17,19H2,1-2H3
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0.740n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50209684
PNG
(CHEMBL390718 | cis-(+)-7,8-dimethoxy-3-[4-(2-methy...)
Show SMILES COc1cc2NCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H34N4O3/c1-19(13-20-7-5-4-6-8-20)17-30-9-11-31(12-10-30)18-26-22-16-28-23-15-25(33-3)24(32-2)14-21(23)27(22)29-34-26/h4-8,13-15,22,26,28H,9-12,16-18H2,1-3H3/b19-13+
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0.930n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]rawolscine from human cloned adrenergic Alpha-2C receptor transfected in CHO cells


Bioorg Med Chem 15: 3649-60 (2007)


Article DOI: 10.1016/j.bmc.2007.03.053
BindingDB Entry DOI: 10.7270/Q2BZ66VB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213393
PNG
(CHEMBL232548 | methyl 4-((2-(1-benzoyl-4-phenylpip...)
Show SMILES COC(=O)c1ccc(Cn2ccnc2C2(CCN(CC2)C(=O)c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C30H29N3O3/c1-36-28(35)25-14-12-23(13-15-25)22-33-21-18-31-29(33)30(26-10-6-3-7-11-26)16-19-32(20-17-30)27(34)24-8-4-2-5-9-24/h2-15,18,21H,16-17,19-20,22H2,1H3
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0.930n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50209684
PNG
(CHEMBL390718 | cis-(+)-7,8-dimethoxy-3-[4-(2-methy...)
Show SMILES COc1cc2NCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H34N4O3/c1-19(13-20-7-5-4-6-8-20)17-30-9-11-31(12-10-30)18-26-22-16-28-23-15-25(33-3)24(32-2)14-21(23)27(22)29-34-26/h4-8,13-15,22,26,28H,9-12,16-18H2,1-3H3/b19-13+
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0.930n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]rawolscine from human cloned adrenergic Alpha-2C receptor transfected in CHO cells


Bioorg Med Chem 15: 3649-60 (2007)


Article DOI: 10.1016/j.bmc.2007.03.053
BindingDB Entry DOI: 10.7270/Q2BZ66VB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50146518
PNG
((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H32FN3O4/c1-18(12-19-4-6-20(28)7-5-19)15-30-8-10-31(11-9-30)16-26-22-17-34-23-14-25(33-3)24(32-2)13-21(23)27(22)29-35-26/h4-7,12-14,22,26H,8-11,15-17H2,1-3H3/b18-12+/t22-,26-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from human cloned 5HTT receptor transfected in CHO cells


Bioorg Med Chem 15: 3649-60 (2007)


Article DOI: 10.1016/j.bmc.2007.03.053
BindingDB Entry DOI: 10.7270/Q2BZ66VB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50146518
PNG
((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H32FN3O4/c1-18(12-19-4-6-20(28)7-5-19)15-30-8-10-31(11-9-30)16-26-22-17-34-23-14-25(33-3)24(32-2)13-21(23)27(22)29-35-26/h4-7,12-14,22,26H,8-11,15-17H2,1-3H3/b18-12+/t22-,26-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from human cloned 5HTT receptor transfected in CHO cells


Bioorg Med Chem 15: 3649-60 (2007)


Article DOI: 10.1016/j.bmc.2007.03.053
BindingDB Entry DOI: 10.7270/Q2BZ66VB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213403
PNG
(CHEMBL391852 | ethyl 4-phenyl-4-(1-(1-phenylethyl)...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1nccn1C(C)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H29N3O2/c1-3-30-24(29)27-17-14-25(15-18-27,22-12-8-5-9-13-22)23-26-16-19-28(23)20(2)21-10-6-4-7-11-21/h4-13,16,19-20H,3,14-15,17-18H2,1-2H3
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1.20n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213380
PNG
(CHEMBL400436 | isopropyl 4-(1-benzyl-1H-imidazol-2...)
Show SMILES CC(C)OC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H29N3O2/c1-20(2)30-24(29)27-16-13-25(14-17-27,22-11-7-4-8-12-22)23-26-15-18-28(23)19-21-9-5-3-6-10-21/h3-12,15,18,20H,13-14,16-17,19H2,1-2H3
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1.80n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213374
PNG
(CHEMBL437397 | phenyl(4-phenyl-4-(1-(1-phenylethyl...)
Show SMILES CC(c1ccccc1)n1ccnc1C1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H29N3O/c1-23(24-11-5-2-6-12-24)32-22-19-30-28(32)29(26-15-9-4-10-16-26)17-20-31(21-18-29)27(33)25-13-7-3-8-14-25/h2-16,19,22-23H,17-18,20-21H2,1H3
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2.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213404
PNG
((4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidin-1...)
Show SMILES O=C(N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H27N3O/c32-26(24-12-6-2-7-13-24)30-19-16-28(17-20-30,25-14-8-3-9-15-25)27-29-18-21-31(27)22-23-10-4-1-5-11-23/h1-15,18,21H,16-17,19-20,22H2
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2.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50209684
PNG
(CHEMBL390718 | cis-(+)-7,8-dimethoxy-3-[4-(2-methy...)
Show SMILES COc1cc2NCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H34N4O3/c1-19(13-20-7-5-4-6-8-20)17-30-9-11-31(12-10-30)18-26-22-16-28-23-15-25(33-3)24(32-2)14-21(23)27(22)29-34-26/h4-8,13-15,22,26,28H,9-12,16-18H2,1-3H3/b19-13+
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2.40n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]rawolscine from human cloned adrenergic alpha2A receptor transfected in CHO cells


Bioorg Med Chem 15: 3649-60 (2007)


Article DOI: 10.1016/j.bmc.2007.03.053
BindingDB Entry DOI: 10.7270/Q2BZ66VB
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50209684
PNG
(CHEMBL390718 | cis-(+)-7,8-dimethoxy-3-[4-(2-methy...)
Show SMILES COc1cc2NCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H34N4O3/c1-19(13-20-7-5-4-6-8-20)17-30-9-11-31(12-10-30)18-26-22-16-28-23-15-25(33-3)24(32-2)14-21(23)27(22)29-34-26/h4-8,13-15,22,26,28H,9-12,16-18H2,1-3H3/b19-13+
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2.40n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]rawolscine from human cloned adrenergic alpha2A receptor transfected in CHO cells


Bioorg Med Chem 15: 3649-60 (2007)


Article DOI: 10.1016/j.bmc.2007.03.053
BindingDB Entry DOI: 10.7270/Q2BZ66VB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213372
PNG
(CHEMBL399205 | propyl 4-(1-benzyl-1H-imidazol-2-yl...)
Show SMILES CCCOC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H29N3O2/c1-2-19-30-24(29)27-16-13-25(14-17-27,22-11-7-4-8-12-22)23-26-15-18-28(23)20-21-9-5-3-6-10-21/h3-12,15,18H,2,13-14,16-17,19-20H2,1H3
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2.90n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50146518
PNG
((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H32FN3O4/c1-18(12-19-4-6-20(28)7-5-19)15-30-8-10-31(11-9-30)16-26-22-17-34-23-14-25(33-3)24(32-2)13-21(23)27(22)29-35-26/h4-7,12-14,22,26H,8-11,15-17H2,1-3H3/b18-12+/t22-,26-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]rawolscine from human cloned adrenergic alpha2A receptor transfected in CHO cells


Bioorg Med Chem 15: 3649-60 (2007)


Article DOI: 10.1016/j.bmc.2007.03.053
BindingDB Entry DOI: 10.7270/Q2BZ66VB
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50146518
PNG
((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H32FN3O4/c1-18(12-19-4-6-20(28)7-5-19)15-30-8-10-31(11-9-30)16-26-22-17-34-23-14-25(33-3)24(32-2)13-21(23)27(22)29-35-26/h4-7,12-14,22,26H,8-11,15-17H2,1-3H3/b18-12+/t22-,26-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]rawolscine from human cloned adrenergic alpha2A receptor transfected in CHO cells


Bioorg Med Chem 15: 3649-60 (2007)


Article DOI: 10.1016/j.bmc.2007.03.053
BindingDB Entry DOI: 10.7270/Q2BZ66VB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50175717
PNG
(4-(1-benzyl-1H-imidazol-2-yl)-N,4-diphenylpiperidi...)
Show SMILES O=S(=O)(Nc1ccccc1)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H28N4O2S/c32-34(33,29-25-14-8-3-9-15-25)31-19-16-27(17-20-31,24-12-6-2-7-13-24)26-28-18-21-30(26)22-23-10-4-1-5-11-23/h1-15,18,21,29H,16-17,19-20,22H2
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3.20n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 16: 146-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.025
BindingDB Entry DOI: 10.7270/Q2ZK5G70
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213376
PNG
(2-methoxy-1-(4-phenyl-4-(1-(1-phenylethyl)-1H-imid...)
Show SMILES COCC(=O)N1CCC(CC1)(c1nccn1C(C)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H29N3O2/c1-20(21-9-5-3-6-10-21)28-18-15-26-24(28)25(22-11-7-4-8-12-22)13-16-27(17-14-25)23(29)19-30-2/h3-12,15,18,20H,13-14,16-17,19H2,1-2H3
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3.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213406
PNG
(CHEMBL232740 | ethyl 4-(1-benzyl-1H-imidazol-2-yl)...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27N3O2/c1-2-29-23(28)26-16-13-24(14-17-26,21-11-7-4-8-12-21)22-25-15-18-27(22)19-20-9-5-3-6-10-20/h3-12,15,18H,2,13-14,16-17,19H2,1H3
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3.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213400
PNG
(CHEMBL391623 | ethyl 4-(1-(4-hydroxybenzyl)-1H-imi...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1nccn1Cc1ccc(O)cc1)c1ccccc1
Show InChI InChI=1S/C24H27N3O3/c1-2-30-23(29)26-15-12-24(13-16-26,20-6-4-3-5-7-20)22-25-14-17-27(22)18-19-8-10-21(28)11-9-19/h3-11,14,17,28H,2,12-13,15-16,18H2,1H3
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4.60n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50209685
PNG
(CHEMBL226636 | cis-(+)-7,8-dimethoxy-3-[4-(3-(4-fl...)
Show SMILES COc1cc2OCC3C(CN4CCN(C\C=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H30FN3O4/c1-31-23-14-20-22(15-24(23)32-2)33-17-21-25(34-28-26(20)21)16-30-12-10-29(11-13-30)9-3-4-18-5-7-19(27)8-6-18/h3-8,14-15,21,25H,9-13,16-17H2,1-2H3/b4-3+
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5.60n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from human cloned 5HTT receptor transfected in CHO cells


Bioorg Med Chem 15: 3649-60 (2007)


Article DOI: 10.1016/j.bmc.2007.03.053
BindingDB Entry DOI: 10.7270/Q2BZ66VB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50209685
PNG
(CHEMBL226636 | cis-(+)-7,8-dimethoxy-3-[4-(3-(4-fl...)
Show SMILES COc1cc2OCC3C(CN4CCN(C\C=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H30FN3O4/c1-31-23-14-20-22(15-24(23)32-2)33-17-21-25(34-28-26(20)21)16-30-12-10-29(11-13-30)9-3-4-18-5-7-19(27)8-6-18/h3-8,14-15,21,25H,9-13,16-17H2,1-2H3/b4-3+
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5.60n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from human cloned 5HTT receptor transfected in CHO cells


Bioorg Med Chem 15: 3649-60 (2007)


Article DOI: 10.1016/j.bmc.2007.03.053
BindingDB Entry DOI: 10.7270/Q2BZ66VB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213397
PNG
(CHEMBL231783 | ethyl 4-(1-(3-fluorobenzyl)-1H-imid...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1nccn1Cc1cccc(F)c1)c1ccccc1
Show InChI InChI=1S/C24H26FN3O2/c1-2-30-23(29)27-14-11-24(12-15-27,20-8-4-3-5-9-20)22-26-13-16-28(22)18-19-7-6-10-21(25)17-19/h3-10,13,16-17H,2,11-12,14-15,18H2,1H3
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5.90n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213381
PNG
(CHEMBL232137 | methyl 4-((2-(1-(2-methoxyacetyl)-4...)
Show SMILES COCC(=O)N1CCC(CC1)(c1nccn1Cc1ccc(cc1)C(=O)OC)c1ccccc1
Show InChI InChI=1S/C26H29N3O4/c1-32-19-23(30)28-15-12-26(13-16-28,22-6-4-3-5-7-22)25-27-14-17-29(25)18-20-8-10-21(11-9-20)24(31)33-2/h3-11,14,17H,12-13,15-16,18-19H2,1-2H3
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5.90n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213378
PNG
(CHEMBL233143 | cyclohexyl 4-(1-benzyl-1H-imidazol-...)
Show SMILES O=C(OC1CCCCC1)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H33N3O2/c32-27(33-25-14-8-3-9-15-25)30-19-16-28(17-20-30,24-12-6-2-7-13-24)26-29-18-21-31(26)22-23-10-4-1-5-11-23/h1-2,4-7,10-13,18,21,25H,3,8-9,14-17,19-20,22H2
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7.40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213386
PNG
(1-(4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidin...)
Show SMILES COCC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27N3O2/c1-29-19-22(28)26-15-12-24(13-16-26,21-10-6-3-7-11-21)23-25-14-17-27(23)18-20-8-4-2-5-9-20/h2-11,14,17H,12-13,15-16,18-19H2,1H3
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7.40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50146518
PNG
((3R,3aS)-3-{4-[3-(4-Fluoro-phenyl)-2-methyl-allyl]...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H32FN3O4/c1-18(12-19-4-6-20(28)7-5-19)15-30-8-10-31(11-9-30)16-26-22-17-34-23-14-25(33-3)24(32-2)13-21(23)27(22)29-35-26/h4-7,12-14,22,26H,8-11,15-17H2,1-3H3/b18-12+/t22-,26-/m0/s1
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8.40n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]rawolscine from human cloned adrenergic alpha-2B receptor transfected in CHO cells


Bioorg Med Chem 15: 3649-60 (2007)


Article DOI: 10.1016/j.bmc.2007.03.053
BindingDB Entry DOI: 10.7270/Q2BZ66VB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50209684
PNG
(CHEMBL390718 | cis-(+)-7,8-dimethoxy-3-[4-(2-methy...)
Show SMILES COc1cc2NCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H34N4O3/c1-19(13-20-7-5-4-6-8-20)17-30-9-11-31(12-10-30)18-26-22-16-28-23-15-25(33-3)24(32-2)14-21(23)27(22)29-34-26/h4-8,13-15,22,26,28H,9-12,16-18H2,1-3H3/b19-13+
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8.90n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from human cloned 5HTT receptor transfected in CHO cells


Bioorg Med Chem 15: 3649-60 (2007)


Article DOI: 10.1016/j.bmc.2007.03.053
BindingDB Entry DOI: 10.7270/Q2BZ66VB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50209684
PNG
(CHEMBL390718 | cis-(+)-7,8-dimethoxy-3-[4-(2-methy...)
Show SMILES COc1cc2NCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H34N4O3/c1-19(13-20-7-5-4-6-8-20)17-30-9-11-31(12-10-30)18-26-22-16-28-23-15-25(33-3)24(32-2)14-21(23)27(22)29-34-26/h4-8,13-15,22,26,28H,9-12,16-18H2,1-3H3/b19-13+
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8.90n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from human cloned 5HTT receptor transfected in CHO cells


Bioorg Med Chem 15: 3649-60 (2007)


Article DOI: 10.1016/j.bmc.2007.03.053
BindingDB Entry DOI: 10.7270/Q2BZ66VB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50175723
PNG
(4-(1-benzyl-1H-imidazol-2-yl)-N-methyl-N,4-dipheny...)
Show SMILES CN(C(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H30N4O/c1-31(26-15-9-4-10-16-26)28(34)32-20-17-29(18-21-32,25-13-7-3-8-14-25)27-30-19-22-33(27)23-24-11-5-2-6-12-24/h2-16,19,22H,17-18,20-21,23H2,1H3
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9n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 16: 146-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.025
BindingDB Entry DOI: 10.7270/Q2ZK5G70
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213398
PNG
(CHEMBL232937 | butyl 4-(1-benzyl-1H-imidazol-2-yl)...)
Show SMILES CCCCOC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H31N3O2/c1-2-3-20-31-25(30)28-17-14-26(15-18-28,23-12-8-5-9-13-23)24-27-16-19-29(24)21-22-10-6-4-7-11-22/h4-13,16,19H,2-3,14-15,17-18,20-21H2,1H3
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9.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213390
PNG
(CHEMBL392266 | tert-butyl 4-(1-benzyl-1H-imidazol-...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H31N3O2/c1-25(2,3)31-24(30)28-17-14-26(15-18-28,22-12-8-5-9-13-22)23-27-16-19-29(23)20-21-10-6-4-7-11-21/h4-13,16,19H,14-15,17-18,20H2,1-3H3
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9.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213395
PNG
(CHEMBL231781 | ethyl 4-(1-(4-methoxybenzyl)-1H-imi...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1nccn1Cc1ccc(OC)cc1)c1ccccc1
Show InChI InChI=1S/C25H29N3O3/c1-3-31-24(29)27-16-13-25(14-17-27,21-7-5-4-6-8-21)23-26-15-18-28(23)19-20-9-11-22(30-2)12-10-20/h4-12,15,18H,3,13-14,16-17,19H2,1-2H3
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12n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50209684
PNG
(CHEMBL390718 | cis-(+)-7,8-dimethoxy-3-[4-(2-methy...)
Show SMILES COc1cc2NCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H34N4O3/c1-19(13-20-7-5-4-6-8-20)17-30-9-11-31(12-10-30)18-26-22-16-28-23-15-25(33-3)24(32-2)14-21(23)27(22)29-34-26/h4-8,13-15,22,26,28H,9-12,16-18H2,1-3H3/b19-13+
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12n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]rawolscine from human cloned adrenergic alpha-2B receptor transfected in CHO cells


Bioorg Med Chem 15: 3649-60 (2007)


Article DOI: 10.1016/j.bmc.2007.03.053
BindingDB Entry DOI: 10.7270/Q2BZ66VB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213394
PNG
(CHEMBL233368 | benzyl 4-(1-benzyl-1H-imidazol-2-yl...)
Show SMILES O=C(OCc1ccccc1)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H29N3O2/c33-28(34-23-25-12-6-2-7-13-25)31-19-16-29(17-20-31,26-14-8-3-9-15-26)27-30-18-21-32(27)22-24-10-4-1-5-11-24/h1-15,18,21H,16-17,19-20,22-23H2
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12n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50175719
PNG
(2-(4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidin...)
Show SMILES C(c1ccccc1)n1ccnc1C1(CCN(CC1)c1ncccn1)c1ccccc1
Show InChI InChI=1S/C25H25N5/c1-3-8-21(9-4-1)20-30-19-16-26-23(30)25(22-10-5-2-6-11-22)12-17-29(18-13-25)24-27-14-7-15-28-24/h1-11,14-16,19H,12-13,17-18,20H2
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18n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 16: 146-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.025
BindingDB Entry DOI: 10.7270/Q2ZK5G70
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213377
PNG
(CHEMBL232738 | methyl 4-(1-benzyl-1H-imidazol-2-yl...)
Show SMILES COC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H25N3O2/c1-28-22(27)25-15-12-23(13-16-25,20-10-6-3-7-11-20)21-24-14-17-26(21)18-19-8-4-2-5-9-19/h2-11,14,17H,12-13,15-16,18H2,1H3
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19n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213389
PNG
((4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidin-1...)
Show SMILES O=C(C1CC1)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27N3O/c29-23(21-11-12-21)27-16-13-25(14-17-27,22-9-5-2-6-10-22)24-26-15-18-28(24)19-20-7-3-1-4-8-20/h1-10,15,18,21H,11-14,16-17,19H2
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23n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213384
PNG
(1-(4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidin...)
Show SMILES O=C(Cc1ccccc1)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H29N3O/c33-27(22-24-10-4-1-5-11-24)31-19-16-29(17-20-31,26-14-8-3-9-15-26)28-30-18-21-32(28)23-25-12-6-2-7-13-25/h1-15,18,21H,16-17,19-20,22-23H2
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23n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50213387
PNG
(CHEMBL393965 | ethyl 4-(1-(4-(methoxycarbonyl)benz...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1nccn1Cc1ccc(cc1)C(=O)OC)c1ccccc1
Show InChI InChI=1S/C26H29N3O4/c1-3-33-25(31)28-16-13-26(14-17-28,22-7-5-4-6-8-22)24-27-15-18-29(24)19-20-9-11-21(12-10-20)23(30)32-2/h4-12,15,18H,3,13-14,16-17,19H2,1-2H3
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25n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from cloned human kappa opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50175733
PNG
(4-(1-benzyl-1H-imidazol-2-yl)-N-(2-fluorophenyl)-4...)
Show SMILES Fc1ccccc1NC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H27FN4O/c29-24-13-7-8-14-25(24)31-27(34)32-18-15-28(16-19-32,23-11-5-2-6-12-23)26-30-17-20-33(26)21-22-9-3-1-4-10-22/h1-14,17,20H,15-16,18-19,21H2,(H,31,34)
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29n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 16: 146-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.025
BindingDB Entry DOI: 10.7270/Q2ZK5G70
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50175738
PNG
(4-(1-benzyl-1H-imidazol-2-yl)-N-(3-fluorophenyl)-4...)
Show SMILES Fc1cccc(NC(=O)N2CCC(CC2)(c2nccn2Cc2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C28H27FN4O/c29-24-12-7-13-25(20-24)31-27(34)32-17-14-28(15-18-32,23-10-5-2-6-11-23)26-30-16-19-33(26)21-22-8-3-1-4-9-22/h1-13,16,19-20H,14-15,17-18,21H2,(H,31,34)
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29n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 16: 146-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.025
BindingDB Entry DOI: 10.7270/Q2ZK5G70
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213388
PNG
(CHEMBL233570 | ethyl 4-(1-(3-methoxybenzyl)-1H-imi...)
Show SMILES CCOC(=O)N1CCC(CC1)(c1nccn1Cc1cccc(OC)c1)c1ccccc1
Show InChI InChI=1S/C25H29N3O3/c1-3-31-24(29)27-15-12-25(13-16-27,21-9-5-4-6-10-21)23-26-14-17-28(23)19-20-8-7-11-22(18-20)30-2/h4-11,14,17-18H,3,12-13,15-16,19H2,1-2H3
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29n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213391
PNG
((3,5-bis(trifluoromethyl)phenyl)(4-(1-benzyl-1H-im...)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H25F6N3O/c31-29(32,33)24-17-22(18-25(19-24)30(34,35)36)26(40)38-14-11-28(12-15-38,23-9-5-2-6-10-23)27-37-13-16-39(27)20-21-7-3-1-4-8-21/h1-10,13,16-19H,11-12,14-15,20H2
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29n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213405
PNG
(1-(4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidin...)
Show SMILES CCC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27N3O/c1-2-22(28)26-16-13-24(14-17-26,21-11-7-4-8-12-21)23-25-15-18-27(23)19-20-9-5-3-6-10-20/h3-12,15,18H,2,13-14,16-17,19H2,1H3
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29n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50175737
PNG
(4-(1-benzyl-1H-imidazol-2-yl)-N-(2-methoxyphenyl)-...)
Show SMILES COc1ccccc1NC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H30N4O2/c1-35-26-15-9-8-14-25(26)31-28(34)32-19-16-29(17-20-32,24-12-6-3-7-13-24)27-30-18-21-33(27)22-23-10-4-2-5-11-23/h2-15,18,21H,16-17,19-20,22H2,1H3,(H,31,34)
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31n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 16: 146-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.025
BindingDB Entry DOI: 10.7270/Q2ZK5G70
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213379
PNG
(1-(4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidin...)
Show SMILES CC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H25N3O/c1-19(27)25-15-12-23(13-16-25,21-10-6-3-7-11-21)22-24-14-17-26(22)18-20-8-4-2-5-9-20/h2-11,14,17H,12-13,15-16,18H2,1H3
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37n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213373
PNG
((4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidin-1...)
Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H31N3O/c1-23-19-24(2)21-26(20-23)28(34)32-16-13-30(14-17-32,27-11-7-4-8-12-27)29-31-15-18-33(29)22-25-9-5-3-6-10-25/h3-12,15,18-21H,13-14,16-17,22H2,1-2H3
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37n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50213407
PNG
(1-(4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidin...)
Show SMILES CC(C)(C)C(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H31N3O/c1-25(2,3)24(30)28-17-14-26(15-18-28,22-12-8-5-9-13-22)23-27-16-19-29(23)20-21-10-6-4-7-11-21/h4-13,16,19H,14-15,17-18,20H2,1-3H3
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37n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from cloned human delta opioid receptor


Bioorg Med Chem Lett 17: 3860-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.012
BindingDB Entry DOI: 10.7270/Q2TT4QMM
More data for this
Ligand-Target Pair
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