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Compile Data Set for Download or QSAR

Found 3938 hits with Last Name = 'peng' 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
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50366764
PNG
(CHEMBL1790045 | MCL-117)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC#C)c2c1
Show InChI InChI=1S/C19H23NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h1,6-7,13,16,18,21H,3-5,8-12H2/t16-,18+,19+/m0/s1
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0.00300n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 256-62 (2006)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50366764
PNG
(CHEMBL1790045 | MCL-117)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC#C)c2c1
Show InChI InChI=1S/C19H23NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h1,6-7,13,16,18,21H,3-5,8-12H2/t16-,18+,19+/m0/s1
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0.00300n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


J Med Chem 49: 256-62 (2006)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50180190
PNG
((1R,9R)-17-[(2S)-oxolan-2-ylmethyl]-17-azatetracyc...)
Show SMILES Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C[C@@H]3CCCO3)c2c1
Show InChI InChI=1S/C21H29NO2/c23-16-7-6-15-12-20-18-5-1-2-8-21(18,19(15)13-16)9-10-22(20)14-17-4-3-11-24-17/h6-7,13,17-18,20,23H,1-5,8-12,14H2/t17-,18?,20+,21+/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


J Med Chem 49: 256-62 (2006)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50105483
PNG
((-)-cyclorphan | 17-cyclopropylmethyl-(1R,9R)-17-a...)
Show SMILES Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17?,19-,20-/m1/s1
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0.0340n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 256-62 (2006)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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0.0340n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO membrane


Bioorg Med Chem 15: 4106-12 (2007)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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0.0340n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 1508-11 (2007)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50204451
PNG
(CHEMBL397035 | MCL-429)
Show SMILES O=C(Nc1ccccc1)Oc1ccc2CC3C4CCCCC4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C27H32N2O2/c30-26(28-21-6-2-1-3-7-21)31-22-12-11-20-16-25-23-8-4-5-13-27(23,24(20)17-22)14-15-29(25)18-19-9-10-19/h1-3,6-7,11-12,17,19,23,25H,4-5,8-10,13-16,18H2,(H,28,30)
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0.0460n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 1508-11 (2007)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50210557
PNG
(CHEMBL242756 | MCL-147)
Show SMILES Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1
Show InChI InChI=1S/C21H27N3S/c22-20-23-17-11-16-14(10-19(17)25-20)9-18-15-3-1-2-6-21(15,16)7-8-24(18)12-13-4-5-13/h10-11,13,15,18H,1-9,12H2,(H2,22,23)/t15-,18+,21+/m0/s1
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0.0490n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO membrane


Bioorg Med Chem 15: 4106-12 (2007)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50135806
PNG
(CHEMBL147511 | MCL-144 | di[17-cyclobutylmethyl-(1...)
Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C52H72N2O4/c55-49(57-41-23-21-39-31-47-43-17-7-9-25-51(43,45(39)33-41)27-29-53(47)35-37-13-11-14-37)19-5-3-1-2-4-6-20-50(56)58-42-24-22-40-32-48-44-18-8-10-26-52(44,46(40)34-42)28-30-54(48)36-38-15-12-16-38/h21-24,33-34,37-38,43-44,47-48H,1-20,25-32,35-36H2/t43-,44-,47+,48+,51+,52+/m0/s1
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0.0490n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 256-62 (2006)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50204450
PNG
(CHEMBL242048 | MCL-428)
Show SMILES O=C(Nc1ccccc1)Oc1ccc2CC3C4CCCCC4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C28H34N2O2/c31-27(29-22-9-2-1-3-10-22)32-23-13-12-21-17-26-24-11-4-5-14-28(24,25(21)18-23)15-16-30(26)19-20-7-6-8-20/h1-3,9-10,12-13,18,20,24,26H,4-8,11,14-17,19H2,(H,29,31)
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0.0510n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 1508-11 (2007)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50105483
PNG
((-)-cyclorphan | 17-cyclopropylmethyl-(1R,9R)-17-a...)
Show SMILES Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17?,19-,20-/m1/s1
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0.0620n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


J Med Chem 49: 256-62 (2006)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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0.0620n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


Bioorg Med Chem 15: 4106-12 (2007)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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0.0620n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 1508-11 (2007)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50180179
PNG
(CHEMBL203251 | MCL-139)
Show SMILES O=C(CCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C46H60N2O4/c49-43(51-35-15-13-33-25-41-37-11-1-3-19-45(37,39(33)27-35)21-23-47(41)29-31-7-5-8-31)17-18-44(50)52-36-16-14-34-26-42-38-12-2-4-20-46(38,40(34)28-36)22-24-48(42)30-32-9-6-10-32/h13-16,27-28,31-32,37-38,41-42H,1-12,17-26,29-30H2/t37?,38?,41-,42-,45-,46-/m1/s1
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0.0760n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 256-62 (2006)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
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0.0790n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 1508-11 (2007)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
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0.0790n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


J Med Chem 50: 2254-8 (2007)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
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0.0790n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 256-62 (2006)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
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0.0790n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO membrane


Bioorg Med Chem 15: 4106-12 (2007)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50135797
PNG
(CHEMBL146756 | di[17-cyclobutylmethyl-(1R,9R,10R)-...)
Show SMILES O=C(Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)\C=C\C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C46H58N2O4/c49-43(51-35-15-13-33-25-41-37-11-1-3-19-45(37,39(33)27-35)21-23-47(41)29-31-7-5-8-31)17-18-44(50)52-36-16-14-34-26-42-38-12-2-4-20-46(38,40(34)28-36)22-24-48(42)30-32-9-6-10-32/h13-18,27-28,31-32,37-38,41-42H,1-12,19-26,29-30H2/b18-17+/t37-,38-,41+,42+,45+,46+/m0/s1
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0.0800n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 256-62 (2006)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50135806
PNG
(CHEMBL147511 | MCL-144 | di[17-cyclobutylmethyl-(1...)
Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C52H72N2O4/c55-49(57-41-23-21-39-31-47-43-17-7-9-25-51(43,45(39)33-41)27-29-53(47)35-37-13-11-14-37)19-5-3-1-2-4-6-20-50(56)58-42-24-22-40-32-48-44-18-8-10-26-52(44,46(40)34-42)28-30-54(48)36-38-15-12-16-38/h21-24,33-34,37-38,43-44,47-48H,1-20,25-32,35-36H2/t43-,44-,47+,48+,51+,52+/m0/s1
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0.0900n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


J Med Chem 49: 256-62 (2006)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50180192
PNG
(1-((-)-N-cyclobutylmethylmorphinan-3-yl) 10-(3,6-d...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C48H62N2O6/c1-49-25-24-48-36-19-20-40(51)46(48)56-45-41(21-17-33(44(45)48)28-38(36)49)55-43(53)15-7-5-3-2-4-6-14-42(52)54-34-18-16-32-27-39-35-13-8-9-22-47(35,37(32)29-34)23-26-50(39)30-31-11-10-12-31/h16-21,29,31,35-36,38-40,46,51H,2-15,22-28,30H2,1H3/t35?,36-,38+,39+,40-,46-,47+,48-/m0/s1
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0.110n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 256-62 (2006)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50204451
PNG
(CHEMBL397035 | MCL-429)
Show SMILES O=C(Nc1ccccc1)Oc1ccc2CC3C4CCCCC4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C27H32N2O2/c30-26(28-21-6-2-1-3-7-21)31-22-12-11-20-16-25-23-8-4-5-13-27(23,24(20)17-22)14-15-29(25)18-19-9-10-19/h1-3,6-7,11-12,17,19,23,25H,4-5,8-10,13-16,18H2,(H,28,30)
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0.110n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 1508-11 (2007)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50209670
PNG
(17-(cyclopropylmethyl)morphinan-3-yl(5alpha)-17-(c...)
Show SMILES O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C51H66N2O7/c54-41-21-23-51(57)43-29-36-18-20-42(47-46(36)50(51,48(41)60-47)25-27-53(43)32-34-15-16-34)59-45(56)14-6-4-2-1-3-5-13-44(55)58-37-19-17-35-28-40-38-12-7-8-22-49(38,39(35)30-37)24-26-52(40)31-33-10-9-11-33/h17-20,30,33-34,38,40,43,48,57H,1-16,21-29,31-32H2/t38?,40-,43-,48+,49-,50+,51-/m1/s1
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0.120n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


J Med Chem 50: 2254-8 (2007)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50204450
PNG
(CHEMBL242048 | MCL-428)
Show SMILES O=C(Nc1ccccc1)Oc1ccc2CC3C4CCCCC4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C28H34N2O2/c31-27(29-22-9-2-1-3-10-22)32-23-13-12-21-17-26-24-11-4-5-14-28(24,25(21)18-23)15-16-30(26)19-20-7-6-8-20/h1-3,9-10,12-13,18,20,24,26H,4-8,11,14-17,19H2,(H,29,31)
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0.120n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 1508-11 (2007)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50027231
PNG
(CHEMBL2113275)
Show SMILES O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC=C)CC[C@@]235)ccc4OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C50H64N2O7/c1-2-26-51-28-25-49-45-35-18-20-41(46(45)59-47(49)40(53)21-23-50(49,56)42(51)30-35)58-44(55)16-8-6-4-3-5-7-15-43(54)57-36-19-17-34-29-39-37-14-9-10-22-48(37,38(34)31-36)24-27-52(39)32-33-12-11-13-33/h2,17-20,31,33,37,39,42,47,56H,1,3-16,21-30,32H2/t37?,39-,42-,47+,48-,49+,50-/m1/s1
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0.130n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


J Med Chem 50: 2254-8 (2007)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50204453
PNG
(CHEMBL263096 | MCL-444)
Show SMILES O=C(NCc1ccccc1)Oc1ccc2CC3C4CCCCC4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C28H34N2O2/c31-27(29-18-20-6-2-1-3-7-20)32-23-12-11-22-16-26-24-8-4-5-13-28(24,25(22)17-23)14-15-30(26)19-21-9-10-21/h1-3,6-7,11-12,17,21,24,26H,4-5,8-10,13-16,18-19H2,(H,29,31)
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0.140n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 1508-11 (2007)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50204449
PNG
(CHEMBL427862 | MCL-449)
Show SMILES CCNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C23H32N2O2/c1-2-24-22(26)27-18-9-8-17-13-21-19-5-3-4-10-23(19,20(17)14-18)11-12-25(21)15-16-6-7-16/h8-9,14,16,19,21H,2-7,10-13,15H2,1H3,(H,24,26)
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0.140n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 1508-11 (2007)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50180190
PNG
((1R,9R)-17-[(2S)-oxolan-2-ylmethyl]-17-azatetracyc...)
Show SMILES Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C[C@@H]3CCCO3)c2c1
Show InChI InChI=1S/C21H29NO2/c23-16-7-6-15-12-20-18-5-1-2-8-21(18,19(15)13-16)9-10-22(20)14-17-4-3-11-24-17/h6-7,13,17-18,20,23H,1-5,8-12,14H2/t17-,18?,20+,21+/m0/s1
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0.150n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 256-62 (2006)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50180179
PNG
(CHEMBL203251 | MCL-139)
Show SMILES O=C(CCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C46H60N2O4/c49-43(51-35-15-13-33-25-41-37-11-1-3-19-45(37,39(33)27-35)21-23-47(41)29-31-7-5-8-31)17-18-44(50)52-36-16-14-34-26-42-38-12-2-4-20-46(38,40(34)28-36)22-24-48(42)30-32-9-6-10-32/h13-16,27-28,31-32,37-38,41-42H,1-12,17-26,29-30H2/t37?,38?,41-,42-,45-,46-/m1/s1
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0.160n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


J Med Chem 49: 256-62 (2006)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50155461
PNG
(3-(4-Iodo-phenyl)-8-aza-bicyclo[3.2.1]octane-2-car...)
Show SMILES FCCOC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2
Show InChI InChI=1S/C16H19FINO2/c17-7-8-21-16(20)15-13(9-12-5-6-14(15)19-12)10-1-3-11(18)4-2-10/h1-4,12-15,19H,5-9H2
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0.180n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-cyanoimiprimine from serotonin transporter of rat cerebral cortical homogenate


Bioorg Med Chem Lett 14: 5635-9 (2004)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50137997
PNG
(3-Amino-N-cyclopropylmethylmorphinan | 3-aminocycl...)
Show SMILES Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H28N2/c21-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-22(19)13-14-4-5-14/h6-7,12,14,17,19H,1-5,8-11,13,21H2/t17-,19+,20+/m0/s1
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0.180n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO membrane


Bioorg Med Chem 15: 4106-12 (2007)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50135797
PNG
(CHEMBL146756 | di[17-cyclobutylmethyl-(1R,9R,10R)-...)
Show SMILES O=C(Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)\C=C\C(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C46H58N2O4/c49-43(51-35-15-13-33-25-41-37-11-1-3-19-45(37,39(33)27-35)21-23-47(41)29-31-7-5-8-31)17-18-44(50)52-36-16-14-34-26-42-38-12-2-4-20-46(38,40(34)28-36)22-24-48(42)30-32-9-6-10-32/h13-18,27-28,31-32,37-38,41-42H,1-12,19-26,29-30H2/b18-17+/t37-,38-,41+,42+,45+,46+/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


J Med Chem 49: 256-62 (2006)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50017233
PNG
(CHEMBL592 | LEVO-DROMORAN | LEVORPHANOL)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1
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0.210n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 1508-11 (2007)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50017233
PNG
(CHEMBL592 | LEVO-DROMORAN | LEVORPHANOL)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1
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0.210n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


J Med Chem 49: 256-62 (2006)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50180192
PNG
(1-((-)-N-cyclobutylmethylmorphinan-3-yl) 10-(3,6-d...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C48H62N2O6/c1-49-25-24-48-36-19-20-40(51)46(48)56-45-41(21-17-33(44(45)48)28-38(36)49)55-43(53)15-7-5-3-2-4-6-14-42(52)54-34-18-16-32-27-39-35-13-8-9-22-47(35,37(32)29-34)23-26-50(39)30-31-11-10-12-31/h16-21,29,31,35-36,38-40,46,51H,2-15,22-28,30H2,1H3/t35?,36-,38+,39+,40-,46-,47+,48-/m0/s1
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0.220n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


J Med Chem 49: 256-62 (2006)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50180183
PNG
(1-((-)-N-cyclopropylmethylmorphinan-3-yl) 10-(N-cy...)
Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C51H70N2O4/c54-48(56-40-22-20-38-30-46-42-14-7-9-24-50(42,44(38)32-40)26-28-52(46)34-36-12-11-13-36)16-5-3-1-2-4-6-17-49(55)57-41-23-21-39-31-47-43-15-8-10-25-51(43,45(39)33-41)27-29-53(47)35-37-18-19-37/h20-23,32-33,36-37,42-43,46-47H,1-19,24-31,34-35H2/t42?,43?,46-,47-,50-,51-/m1/s1
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0.230n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 256-62 (2006)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
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0.230n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


J Med Chem 49: 256-62 (2006)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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0.230n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


J Med Chem 50: 2254-8 (2007)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
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0.230n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as inhibition of DAGO-stimulated [35S]GTPgammaS binding


J Med Chem 50: 2254-8 (2007)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
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0.230n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


Bioorg Med Chem 15: 4106-12 (2007)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
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0.230n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 1508-11 (2007)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50155459
PNG
(3-(4-Bromo-phenyl)-8-aza-bicyclo[3.2.1]octane-2-ca...)
Show SMILES FCCOC(=O)C1C2CCC(CC1c1ccc(Br)cc1)N2
Show InChI InChI=1S/C16H19BrFNO2/c17-11-3-1-10(2-4-11)13-9-12-5-6-14(19-12)15(13)16(20)21-8-7-18/h1-4,12-15,19H,5-9H2
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0.240n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-cyanoimiprimine from serotonin transporter of rat cerebral cortical homogenate


Bioorg Med Chem Lett 14: 5635-9 (2004)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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0.25n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


J Med Chem 50: 2254-8 (2007)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50180190
PNG
((1R,9R)-17-[(2S)-oxolan-2-ylmethyl]-17-azatetracyc...)
Show SMILES Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C[C@@H]3CCCO3)c2c1
Show InChI InChI=1S/C21H29NO2/c23-16-7-6-15-12-20-18-5-1-2-8-21(18,19(15)13-16)9-10-22(20)14-17-4-3-11-24-17/h6-7,13,17-18,20,23H,1-5,8-12,14H2/t17-,18?,20+,21+/m0/s1
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0.270n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


J Med Chem 49: 256-62 (2006)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50194274
PNG
((-)-H-Dmt-Tic-beta-Ala-O-3-hydroxy-N-cyclobutylmet...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C45H56N4O5/c1-28-20-34(50)21-29(2)36(28)25-39(46)44(53)49-27-33-11-4-3-10-31(33)22-41(49)43(52)47-18-15-42(51)54-35-14-13-32-23-40-37-12-5-6-16-45(37,38(32)24-35)17-19-48(40)26-30-8-7-9-30/h3-4,10-11,13-14,20-21,24,30,37,39-41,50H,5-9,12,15-19,22-23,25-27,46H2,1-2H3,(H,47,52)/t37-,39-,40+,41-,45+/m0/s1
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0.280n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to human kappa opioid receptor expressed in CHO cells at 10 uM


J Med Chem 49: 5640-3 (2006)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50194274
PNG
((-)-H-Dmt-Tic-beta-Ala-O-3-hydroxy-N-cyclobutylmet...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C45H56N4O5/c1-28-20-34(50)21-29(2)36(28)25-39(46)44(53)49-27-33-11-4-3-10-31(33)22-41(49)43(52)47-18-15-42(51)54-35-14-13-32-23-40-37-12-5-6-16-45(37,38(32)24-35)17-19-48(40)26-30-8-7-9-30/h3-4,10-11,13-14,20-21,24,30,37,39-41,50H,5-9,12,15-19,22-23,25-27,46H2,1-2H3,(H,47,52)/t37-,39-,40+,41-,45+/m0/s1
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0.280n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 5640-3 (2006)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50180185
PNG
(10-{[(1R,9R)-17-(cyclobutylmethyl)-17-azatetracycl...)
Show SMILES OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C31H45NO4/c33-29(34)13-5-3-1-2-4-6-14-30(35)36-25-16-15-24-20-28-26-12-7-8-17-31(26,27(24)21-25)18-19-32(28)22-23-10-9-11-23/h15-16,21,23,26,28H,1-14,17-20,22H2,(H,33,34)/t26?,28-,31-/m1/s1
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0.290n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 49: 256-62 (2006)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50204449
PNG
(CHEMBL427862 | MCL-449)
Show SMILES CCNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C23H32N2O2/c1-2-24-22(26)27-18-9-8-17-13-21-19-5-3-4-10-23(19,20(17)14-18)11-12-25(21)15-16-6-7-16/h8-9,14,16,19,21H,2-7,10-13,15H2,1H3,(H,24,26)
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0.290n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 1508-11 (2007)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50209670
PNG
(17-(cyclopropylmethyl)morphinan-3-yl(5alpha)-17-(c...)
Show SMILES O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C51H66N2O7/c54-41-21-23-51(57)43-29-36-18-20-42(47-46(36)50(51,48(41)60-47)25-27-53(43)32-34-15-16-34)59-45(56)14-6-4-2-1-3-5-13-44(55)58-37-19-17-35-28-40-38-12-7-8-22-49(38,39(35)30-37)24-26-52(40)31-33-10-9-11-33/h17-20,30,33-34,38,40,43,48,57H,1-16,21-29,31-32H2/t38?,40-,43-,48+,49-,50+,51-/m1/s1
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0.290n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as inhibition of DAGO-stimulated [35S]GTPgammaS binding


J Med Chem 50: 2254-8 (2007)

More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50035766
PNG
(3-(4-Bromo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oc...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Br)cc1)N2C
Show InChI InChI=1S/C16H20BrNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-CIT from dopamine transporter of rat striatal homogenate


Bioorg Med Chem Lett 14: 5635-9 (2004)

More data for this
Ligand-Target Pair
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