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Compile Data Set for Download or QSAR

Found 1204 hits with Last Name = 'fu' and Initial = 'w'   
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
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50345693
PNG
((3-endo)-3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethy...)
Show SMILES C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,THB:9:8:1:4.5|
Show InChI InChI=1S/C24H29N2/c1-26(2)22-13-14-23(26)16-19(15-22)17-24(18-25,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,22-23H,13-17H2,1-2H3/q+1/t22-,23-/m1/s1
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0.0500n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human muscarinic M1 receptor expressed in CHO cells by scintillation proximity assay


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50345693
PNG
((3-endo)-3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethy...)
Show SMILES C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,THB:9:8:1:4.5|
Show InChI InChI=1S/C24H29N2/c1-26(2)22-13-14-23(26)16-19(15-22)17-24(18-25,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,22-23H,13-17H2,1-2H3/q+1/t22-,23-/m1/s1
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0.0600n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human muscarinic M3 receptor expressed in CHO cells by scintillation proximity assay


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50345693
PNG
((3-endo)-3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethy...)
Show SMILES C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,THB:9:8:1:4.5|
Show InChI InChI=1S/C24H29N2/c1-26(2)22-13-14-23(26)16-19(15-22)17-24(18-25,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,22-23H,13-17H2,1-2H3/q+1/t22-,23-/m1/s1
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0.170n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human muscarinic M2 receptor expressed in CHO cells by scintillation proximity assay


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50412340
PNG
(CHEMBL540359)
Show SMILES CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 |r|
Show InChI InChI=1S/C33H40N4O6/c1-22(2)43-32(41)25-11-13-26(14-12-25)35-33(42)36-30(19-23-9-15-28(38)16-10-23)31(40)34-27-7-5-17-37(3,21-27)20-24-6-4-8-29(39)18-24/h4,6,8-16,18,22,27,30H,5,7,17,19-21H2,1-3H3,(H4-,34,35,36,38,39,40,41,42)/p+1/t27-,30-,37?/m0/s1
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0.316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human muscarinic acetylcholine M1 receptor expressed in CHO cells by scintillation proximity assay


J Med Chem 51: 4866-9 (2008)


Article DOI: 10.1021/jm800634k
BindingDB Entry DOI: 10.7270/Q2MG7QQS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50345692
PNG
((3-endo)-3-(2,2-Di-2-thienylethenyl)-8,8-dimethyl-...)
Show SMILES [#6][N+]1([#6])[#6@@H]-2-[#6]-[#6]-[#6@@H]1-[#6]-[#6](-[#6]-2)\[#6]=[#6](/c1cccs1)-c1cccs1 |r,THB:10:8:1:4.5|
Show InChI InChI=1S/C19H24NS2/c1-20(2)15-7-8-16(20)12-14(11-15)13-17(18-5-3-9-21-18)19-6-4-10-22-19/h3-6,9-10,13-16H,7-8,11-12H2,1-2H3/q+1/t15-,16-/m1/s1
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0.380n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human muscarinic M1 receptor expressed in CHO cells by scintillation proximity assay


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50345692
PNG
((3-endo)-3-(2,2-Di-2-thienylethenyl)-8,8-dimethyl-...)
Show SMILES [#6][N+]1([#6])[#6@@H]-2-[#6]-[#6]-[#6@@H]1-[#6]-[#6](-[#6]-2)\[#6]=[#6](/c1cccs1)-c1cccs1 |r,THB:10:8:1:4.5|
Show InChI InChI=1S/C19H24NS2/c1-20(2)15-7-8-16(20)12-14(11-15)13-17(18-5-3-9-21-18)19-6-4-10-22-19/h3-6,9-10,13-16H,7-8,11-12H2,1-2H3/q+1/t15-,16-/m1/s1
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0.450n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human muscarinic M3 receptor expressed in CHO cells by scintillation proximity assay


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222885
PNG
(6-(4-fluorophenoxy)-3-[(1-isopropylpiperidin-3-yl)...)
Show SMILES CC(C)N1CCCC(Cn2c(nc3ccc(Oc4ccc(F)cc4)cc3c2=O)-c2ccccc2C)C1 |w:7.7|
Show InChI InChI=1S/C30H32FN3O2/c1-20(2)33-16-6-8-22(18-33)19-34-29(26-9-5-4-7-21(26)3)32-28-15-14-25(17-27(28)30(34)35)36-24-12-10-23(31)11-13-24/h4-5,7,9-15,17,20,22H,6,8,16,18-19H2,1-3H3
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0.470n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.480n/an/an/an/an/an/an/an/a



Fudan University



Assay Description
The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe...


Chem Biol Drug Des 88: 599-607 (2016)


Article DOI: 10.1111/cbdd.12796
BindingDB Entry DOI: 10.7270/Q2QF8RQ5
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.480n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine D3 receptor (unknown origin) expressed in HEK293 cell membranes incubated for 15 mins by liquid scintill...


Bioorg Med Chem Lett 25: 3970-4 (2015)


BindingDB Entry DOI: 10.7270/Q2CC12G9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50345692
PNG
((3-endo)-3-(2,2-Di-2-thienylethenyl)-8,8-dimethyl-...)
Show SMILES [#6][N+]1([#6])[#6@@H]-2-[#6]-[#6]-[#6@@H]1-[#6]-[#6](-[#6]-2)\[#6]=[#6](/c1cccs1)-c1cccs1 |r,THB:10:8:1:4.5|
Show InChI InChI=1S/C19H24NS2/c1-20(2)15-7-8-16(20)12-14(11-15)13-17(18-5-3-9-21-18)19-6-4-10-22-19/h3-6,9-10,13-16H,7-8,11-12H2,1-2H3/q+1/t15-,16-/m1/s1
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0.730n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human muscarinic M2 receptor expressed in CHO cells by scintillation proximity assay


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222867
PNG
((S)-6-(4-fluorophenoxy)-3-((1-isopropylpiperidin-3...)
Show SMILES CC(C)N1CCC[C@H](Cn2c(nc3ccc(Oc4ccc(F)cc4)cc3c2=O)-c2ccccc2C)C1
Show InChI InChI=1S/C30H32FN3O2/c1-20(2)33-16-6-8-22(18-33)19-34-29(26-9-5-4-7-21(26)3)32-28-15-14-25(17-27(28)30(34)35)36-24-12-10-23(31)11-13-24/h4-5,7,9-15,17,20,22H,6,8,16,18-19H2,1-3H3/t22-/m0/s1
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0.860n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222875
PNG
(6-(4-fluorophenoxy)-2-(2-methylphenyl)-3-(piperidi...)
Show SMILES Cc1ccccc1-c1nc2ccc(Oc3ccc(F)cc3)cc2c(=O)n1CC1CCCNC1 |w:27.30|
Show InChI InChI=1S/C27H26FN3O2/c1-18-5-2-3-7-23(18)26-30-25-13-12-22(33-21-10-8-20(28)9-11-21)15-24(25)27(32)31(26)17-19-6-4-14-29-16-19/h2-3,5,7-13,15,19,29H,4,6,14,16-17H2,1H3
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0.900n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222867
PNG
((S)-6-(4-fluorophenoxy)-3-((1-isopropylpiperidin-3...)
Show SMILES CC(C)N1CCC[C@H](Cn2c(nc3ccc(Oc4ccc(F)cc4)cc3c2=O)-c2ccccc2C)C1
Show InChI InChI=1S/C30H32FN3O2/c1-20(2)33-16-6-8-22(18-33)19-34-29(26-9-5-4-7-21(26)3)32-28-15-14-25(17-27(28)30(34)35)36-24-12-10-23(31)11-13-24/h4-5,7,9-15,17,20,22H,6,8,16,18-19H2,1-3H3/t22-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50174108
PNG
(CHEMBL3809808)
Show SMILES COc1cccc(c1)[C@]1(O)[C@@H](CN(C)C)CCc2cc(ccc12)-c1ccccc1 |r|
Show InChI InChI=1/C26H29NO2/c1-27(2)18-23-14-12-21-16-20(19-8-5-4-6-9-19)13-15-25(21)26(23,28)22-10-7-11-24(17-22)29-3/h4-11,13,15-17,23,28H,12,14,18H2,1-3H3/t23-,26+/s2
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>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50174071
PNG
(CHEMBL3808800)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1/C26H26F3NO2/c1-30(2)16-22-12-8-19-14-18(17-6-10-20(11-7-17)26(27,28)29)9-13-24(19)25(22,32)21-4-3-5-23(31)15-21/h3-7,9-11,13-15,22,31-32H,8,12,16H2,1-2H3/t22-,25+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50174102
PNG
(CHEMBL3809970)
Show SMILES COc1cccc(c1)[C@]1(O)[C@@H](CN(C)C)CCc2cc(ccc12)-c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1/C26H27Cl2NO2/c1-29(2)16-21-10-7-19-13-17(18-9-12-24(27)25(28)14-18)8-11-23(19)26(21,30)20-5-4-6-22(15-20)31-3/h4-6,8-9,11-15,21,30H,7,10,16H2,1-3H3/t21-,26+/s2
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>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50174106
PNG
(CHEMBL3809396)
Show SMILES COc1cccc(c1)-c1ccc2c(CC[C@H](CN(C)C)[C@@]2(O)c2cccc(OC)c2)c1 |r|
Show InChI InChI=1/C27H31NO3/c1-28(2)18-23-13-11-21-15-20(19-7-5-9-24(16-19)30-3)12-14-26(21)27(23,29)22-8-6-10-25(17-22)31-4/h5-10,12,14-17,23,29H,11,13,18H2,1-4H3/t23-,27+/s2
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>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50173990
PNG
(CHEMBL3808766)
Show SMILES COc1ccccc1-c1ccc2c(CCC(CN(C)C)C2(O)c2cccc(O)c2)c1
Show InChI InChI=1/C26H29NO3/c1-27(2)17-21-13-11-19-15-18(23-9-4-5-10-25(23)30-3)12-14-24(19)26(21,29)20-7-6-8-22(28)16-20/h4-10,12,14-16,21,28-29H,11,13,17H2,1-3H3
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>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50173990
PNG
(CHEMBL3808766)
Show SMILES COc1ccccc1-c1ccc2c(CCC(CN(C)C)C2(O)c2cccc(O)c2)c1
Show InChI InChI=1/C26H29NO3/c1-27(2)17-21-13-11-19-15-18(23-9-4-5-10-25(23)30-3)12-14-24(19)26(21,29)20-7-6-8-22(28)16-20/h4-10,12,14-16,21,28-29H,11,13,17H2,1-3H3
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>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50173991
PNG
(CHEMBL3809323)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1OC(F)(F)F |r|
Show InChI InChI=1/C26H26F3NO3/c1-30(2)16-20-12-10-18-14-17(22-8-3-4-9-24(22)33-26(27,28)29)11-13-23(18)25(20,32)19-6-5-7-21(31)15-19/h3-9,11,13-15,20,31-32H,10,12,16H2,1-2H3/t20-,25+/s2
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>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50173992
PNG
(CHEMBL3808773)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1C(F)(F)F |r|
Show InChI InChI=1/C26H26F3NO2/c1-30(2)16-20-12-10-18-14-17(22-8-3-4-9-24(22)26(27,28)29)11-13-23(18)25(20,32)19-6-5-7-21(31)15-19/h3-9,11,13-15,20,31-32H,10,12,16H2,1-2H3/t20-,25+/s2
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>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50173993
PNG
(CHEMBL3809017)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1Cl |r|
Show InChI InChI=1/C25H26ClNO2/c1-27(2)16-20-12-10-18-14-17(22-8-3-4-9-24(22)26)11-13-23(18)25(20,29)19-6-5-7-21(28)15-19/h3-9,11,13-15,20,28-29H,10,12,16H2,1-2H3/t20-,25+/s2
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>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50173994
PNG
(CHEMBL3809684)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1F |r|
Show InChI InChI=1/C25H26FNO2/c1-27(2)16-20-12-10-18-14-17(22-8-3-4-9-24(22)26)11-13-23(18)25(20,29)19-6-5-7-21(28)15-19/h3-9,11,13-15,20,28-29H,10,12,16H2,1-2H3/t20-,25+/s2
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>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50173995
PNG
(CHEMBL3809491)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1C |r|
Show InChI InChI=1/C26H29NO2/c1-18-7-4-5-10-24(18)19-12-14-25-20(15-19)11-13-22(17-27(2)3)26(25,29)21-8-6-9-23(28)16-21/h4-10,12,14-16,22,28-29H,11,13,17H2,1-3H3/t22-,26+/s2
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>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50174042
PNG
(CHEMBL3809650)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1/C25H25Cl2NO2/c1-28(2)15-20-9-6-18-12-16(17-8-11-23(26)24(27)13-17)7-10-22(18)25(20,30)19-4-3-5-21(29)14-19/h3-5,7-8,10-14,20,29-30H,6,9,15H2,1-2H3/t20-,25+/s2
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>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50174109
PNG
(CHEMBL3810337)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C25H26ClNO2/c1-27(2)16-21-10-6-19-14-18(17-7-11-22(26)12-8-17)9-13-24(19)25(21,29)20-4-3-5-23(28)15-20/h3-5,7-9,11-15,21,28-29H,6,10,16H2,1-2H3/t21-,25+/s2
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>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50174071
PNG
(CHEMBL3808800)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1/C26H26F3NO2/c1-30(2)16-22-12-8-19-14-18(17-6-10-20(11-7-17)26(27,28)29)9-13-24(19)25(22,32)21-4-3-5-23(31)15-21/h3-7,9-11,13-15,22,31-32H,8,12,16H2,1-2H3/t22-,25+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50174101
PNG
(CHEMBL3808589)
Show SMILES COc1ccc(cc1)-c1ccc2c(CC[C@H](CN(C)C)[C@@]2(O)c2cccc(O)c2)c1 |r|
Show InChI InChI=1/C26H29NO3/c1-27(2)17-22-11-7-20-15-19(18-8-12-24(30-3)13-9-18)10-14-25(20)26(22,29)21-5-4-6-23(28)16-21/h4-6,8-10,12-16,22,28-29H,7,11,17H2,1-3H3/t22-,26+/s2
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>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50174110
PNG
(CHEMBL3809546)
Show SMILES COc1cccc(c1)-c1ccc2c(CC[C@H](CN(C)C)[C@@]2(O)c2cccc(O)c2)c1 |r|
Show InChI InChI=1/C26H29NO3/c1-27(2)17-22-12-10-20-14-19(18-6-4-9-24(15-18)30-3)11-13-25(20)26(22,29)21-7-5-8-23(28)16-21/h4-9,11,13-16,22,28-29H,10,12,17H2,1-3H3/t22-,26+/s2
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>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50174032
PNG
(CHEMBL3808835)
Show SMILES COc1ccccc1-c1ccc2c(CC[C@H](CN(C)C)[C@@]2(O)c2cccc(O)c2)c1 |r|
Show InChI InChI=1/C26H29NO3/c1-27(2)17-21-13-11-19-15-18(23-9-4-5-10-25(23)30-3)12-14-24(19)26(21,29)20-7-6-8-22(28)16-20/h4-10,12,14-16,21,28-29H,11,13,17H2,1-3H3/t21-,26+/s2
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>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50174111
PNG
(CHEMBL3810282)
Show SMILES COc1cccc(c1)[C@]1(O)[C@@H](CN(C)C)CCc2cc(ccc12)-c1ccccc1C |r|
Show InChI InChI=1/C27H31NO2/c1-19-8-5-6-11-25(19)20-13-15-26-21(16-20)12-14-23(18-28(2)3)27(26,29)22-9-7-10-24(17-22)30-4/h5-11,13,15-17,23,29H,12,14,18H2,1-4H3/t23-,27+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50174102
PNG
(CHEMBL3809970)
Show SMILES COc1cccc(c1)[C@]1(O)[C@@H](CN(C)C)CCc2cc(ccc12)-c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1/C26H27Cl2NO2/c1-29(2)16-21-10-7-19-13-17(18-9-12-24(27)25(28)14-18)8-11-23(19)26(21,30)20-5-4-6-22(15-20)31-3/h4-6,8-9,11-15,21,30H,7,10,16H2,1-3H3/t21-,26+/s2
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>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50174103
PNG
(CHEMBL3809687)
Show SMILES COc1cccc(c1)[C@]1(O)[C@@H](CN(C)C)CCc2cc(ccc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C26H28ClNO2/c1-28(2)17-22-11-7-20-15-19(18-8-12-23(27)13-9-18)10-14-25(20)26(22,29)21-5-4-6-24(16-21)30-3/h4-6,8-10,12-16,22,29H,7,11,17H2,1-3H3/t22-,26+/s2
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>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50174104
PNG
(CHEMBL3809145)
Show SMILES COc1cccc(c1)[C@]1(O)[C@@H](CN(C)C)CCc2cc(ccc12)-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1/C27H28F3NO2/c1-31(2)17-23-13-9-20-15-19(18-7-11-21(12-8-18)27(28,29)30)10-14-25(20)26(23,32)22-5-4-6-24(16-22)33-3/h4-8,10-12,14-16,23,32H,9,13,17H2,1-3H3/t23-,26+/s2
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>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50174105
PNG
(CHEMBL3809054)
Show SMILES COc1ccc(cc1)-c1ccc2c(CC[C@H](CN(C)C)[C@@]2(O)c2cccc(OC)c2)c1 |r|
Show InChI InChI=1/C27H31NO3/c1-28(2)18-23-12-8-21-16-20(19-9-13-24(30-3)14-10-19)11-15-26(21)27(23,29)22-6-5-7-25(17-22)31-4/h5-7,9-11,13-17,23,29H,8,12,18H2,1-4H3/t23-,27+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50174106
PNG
(CHEMBL3809396)
Show SMILES COc1cccc(c1)-c1ccc2c(CC[C@H](CN(C)C)[C@@]2(O)c2cccc(OC)c2)c1 |r|
Show InChI InChI=1/C27H31NO3/c1-28(2)18-23-13-11-21-15-20(19-7-5-9-24(16-19)30-3)12-14-26(21)27(23,29)22-8-6-10-25(17-22)31-4/h5-10,12,14-17,23,29H,11,13,18H2,1-4H3/t23-,27+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50174107
PNG
(CHEMBL3808879)
Show SMILES COc1cccc(c1)[C@]1(O)[C@@H](CN(C)C)CCc2cc(ccc12)-c1ccccc1OC |r|
Show InChI InChI=1/C27H31NO3/c1-28(2)18-22-14-12-20-16-19(24-10-5-6-11-26(24)31-4)13-15-25(20)27(22,29)21-8-7-9-23(17-21)30-3/h5-11,13,15-17,22,29H,12,14,18H2,1-4H3/t22-,27+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50174108
PNG
(CHEMBL3809808)
Show SMILES COc1cccc(c1)[C@]1(O)[C@@H](CN(C)C)CCc2cc(ccc12)-c1ccccc1 |r|
Show InChI InChI=1/C26H29NO2/c1-27(2)18-23-14-12-21-16-20(19-8-5-4-6-9-19)13-15-25(21)26(23,28)22-10-7-11-24(17-22)29-3/h4-11,13,15-17,23,28H,12,14,18H2,1-3H3/t23-,26+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50174105
PNG
(CHEMBL3809054)
Show SMILES COc1ccc(cc1)-c1ccc2c(CC[C@H](CN(C)C)[C@@]2(O)c2cccc(OC)c2)c1 |r|
Show InChI InChI=1/C27H31NO3/c1-28(2)18-23-12-8-21-16-20(19-9-13-24(30-3)14-10-19)11-15-26(21)27(23,29)22-6-5-7-25(17-22)31-4/h5-7,9-11,13-17,23,29H,8,12,18H2,1-4H3/t23-,27+/s2
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>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50174104
PNG
(CHEMBL3809145)
Show SMILES COc1cccc(c1)[C@]1(O)[C@@H](CN(C)C)CCc2cc(ccc12)-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1/C27H28F3NO2/c1-31(2)17-23-13-9-20-15-19(18-7-11-21(12-8-18)27(28,29)30)10-14-25(20)26(23,32)22-5-4-6-24(16-22)33-3/h4-8,10-12,14-16,23,32H,9,13,17H2,1-3H3/t23-,26+/s2
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>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50174103
PNG
(CHEMBL3809687)
Show SMILES COc1cccc(c1)[C@]1(O)[C@@H](CN(C)C)CCc2cc(ccc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C26H28ClNO2/c1-28(2)17-22-11-7-20-15-19(18-8-12-23(27)13-9-18)10-14-25(20)26(22,29)21-5-4-6-24(16-21)30-3/h4-6,8-10,12-16,22,29H,7,11,17H2,1-3H3/t22-,26+/s2
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>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50176263
PNG
(3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...)
Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 |r|
Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
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>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50176259
PNG
((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...)
Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50173990
PNG
(CHEMBL3808766)
Show SMILES COc1ccccc1-c1ccc2c(CCC(CN(C)C)C2(O)c2cccc(O)c2)c1
Show InChI InChI=1/C26H29NO3/c1-27(2)17-21-13-11-19-15-18(23-9-4-5-10-25(23)30-3)12-14-24(19)26(21,29)20-7-6-8-22(28)16-20/h4-10,12,14-16,21,28-29H,11,13,17H2,1-3H3
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Fudan University

Curated by ChEMBL


Assay Description
Binding affinity towards human glucocorticoid receptor (GR) was determined using [3H]-Dexamethasone as radioligand in SF-1 cells


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50173990
PNG
(CHEMBL3808766)
Show SMILES COc1ccccc1-c1ccc2c(CCC(CN(C)C)C2(O)c2cccc(O)c2)c1
Show InChI InChI=1/C26H29NO3/c1-27(2)17-21-13-11-19-15-18(23-9-4-5-10-25(23)30-3)12-14-24(19)26(21,29)20-7-6-8-22(28)16-20/h4-10,12,14-16,21,28-29H,11,13,17H2,1-3H3
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50173991
PNG
(CHEMBL3809323)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1OC(F)(F)F |r|
Show InChI InChI=1/C26H26F3NO3/c1-30(2)16-20-12-10-18-14-17(22-8-3-4-9-24(22)33-26(27,28)29)11-13-23(18)25(20,32)19-6-5-7-21(31)15-19/h3-9,11,13-15,20,31-32H,10,12,16H2,1-2H3/t20-,25+/s2
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>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50173992
PNG
(CHEMBL3808773)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1C(F)(F)F |r|
Show InChI InChI=1/C26H26F3NO2/c1-30(2)16-20-12-10-18-14-17(22-8-3-4-9-24(22)26(27,28)29)11-13-23(18)25(20,32)19-6-5-7-21(31)15-19/h3-9,11,13-15,20,31-32H,10,12,16H2,1-2H3/t20-,25+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50173993
PNG
(CHEMBL3809017)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1Cl |r|
Show InChI InChI=1/C25H26ClNO2/c1-27(2)16-20-12-10-18-14-17(22-8-3-4-9-24(22)26)11-13-23(18)25(20,29)19-6-5-7-21(28)15-19/h3-9,11,13-15,20,28-29H,10,12,16H2,1-2H3/t20-,25+/s2
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>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50173994
PNG
(CHEMBL3809684)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1F |r|
Show InChI InChI=1/C25H26FNO2/c1-27(2)16-20-12-10-18-14-17(22-8-3-4-9-24(22)26)11-13-23(18)25(20,29)19-6-5-7-21(28)15-19/h3-9,11,13-15,20,28-29H,10,12,16H2,1-2H3/t20-,25+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50173995
PNG
(CHEMBL3809491)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1C |r|
Show InChI InChI=1/C26H29NO2/c1-18-7-4-5-10-24(18)19-12-14-25-20(15-19)11-13-22(17-27(2)3)26(25,29)21-8-6-9-23(28)16-21/h4-10,12,14-16,22,28-29H,11,13,17H2,1-3H3/t22-,26+/s2
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>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
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