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Compile Data Set for Download or QSAR

Found 31 hits with Last Name = 'manly' and Initial = 'sp'   
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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50067734
PNG
((-)-(6aR-trans)-6,6,9-trimethyl-3-pentyl-6a,7,10,1...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1
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12n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM60994
PNG
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
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18n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50092347
PNG
(CHEMBL3586106)
Show SMILES [H][C@@]12CC=C(C)[C@H](O)[C@@]1([H])c1c(O)cc(CCCCC)cc1OC2(C)C |r,t:3|
Show InChI InChI=1S/C20H19Cl2N3O2/c1-26-19-7-6-13-15(20(19)27-12-4-2-3-5-12)9-24-25-18(13)8-14-16(21)10-23-11-17(14)22/h6-7,9-12H,2-5,8H2,1H3
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30n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50092347
PNG
(CHEMBL3586106)
Show SMILES [H][C@@]12CC=C(C)[C@H](O)[C@@]1([H])c1c(O)cc(CCCCC)cc1OC2(C)C |r,t:3|
Show InChI InChI=1S/C20H19Cl2N3O2/c1-26-19-7-6-13-15(20(19)27-12-4-2-3-5-12)9-24-25-18(13)8-14-16(21)10-23-11-17(14)22/h6-7,9-12H,2-5,8H2,1H3
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31n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM60994
PNG
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
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42n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50092343
PNG
(CHEMBL3586110)
Show SMILES [H][C@@]12CCC(COC(C)=O)=C[C@@]1([H])c1c(O)c(C(O)=O)c(CCCCC)cc1OC2(C)C |r,c:9|
Show InChI InChI=1S/C24H32O6/c1-5-6-7-8-16-12-19-21(22(26)20(16)23(27)28)17-11-15(13-29-14(2)25)9-10-18(17)24(3,4)30-19/h11-12,17-18,26H,5-10,13H2,1-4H3,(H,27,28)/t17-,18-/m1/s1
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47n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM84880
PNG
(THC, 8 beta-OH)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)[C@H](O)C[C@H]3C(C)(C)Oc2c1 |t:11|
Show InChI InChI=1S/C21H30O3/c1-5-6-7-8-14-10-18(23)20-15-9-13(2)17(22)12-16(15)21(3,4)24-19(20)11-14/h9-11,15-17,22-23H,5-8,12H2,1-4H3/t15-,16-,17-/m1/s1
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65n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50067734
PNG
((-)-(6aR-trans)-6,6,9-trimethyl-3-pentyl-6a,7,10,1...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1
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78n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM84880
PNG
(THC, 8 beta-OH)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)[C@H](O)C[C@H]3C(C)(C)Oc2c1 |t:11|
Show InChI InChI=1S/C21H30O3/c1-5-6-7-8-14-10-18(23)20-15-9-13(2)17(22)12-16(15)21(3,4)24-19(20)11-14/h9-11,15-17,22-23H,5-8,12H2,1-4H3/t15-,16-,17-/m1/s1
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88n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50092345
PNG
(CHEMBL3586108)
Show SMILES [H][C@@]12CCC(=C)[C@H](O)[C@@]1([H])c1c(O)cc(CCCCC)cc1OC2(C)C |r|
Show InChI InChI=1S/C26H25Cl2N3O2/c1-32-25-12-11-19-21(15-30-31-24(19)14-20-22(27)16-29-17-23(20)28)26(25)33-13-7-3-6-10-18-8-4-2-5-9-18/h2,4-5,8-9,11-12,15-17H,3,6-7,10,13-14H2,1H3
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117n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50092345
PNG
(CHEMBL3586108)
Show SMILES [H][C@@]12CCC(=C)[C@H](O)[C@@]1([H])c1c(O)cc(CCCCC)cc1OC2(C)C |r|
Show InChI InChI=1S/C26H25Cl2N3O2/c1-32-25-12-11-19-21(15-30-31-24(19)14-20-22(27)16-29-17-23(20)28)26(25)33-13-7-3-6-10-18-8-4-2-5-9-18/h2,4-5,8-9,11-12,15-17H,3,6-7,10,13-14H2,1H3
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129n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50092344
PNG
(CHEMBL3586109)
Show SMILES [H][C@@]12O[C@]1(C)CC[C@]1([H])[C@]2([H])c2c(O)cc(CCCCC)cc2OC1(C)C |r|
Show InChI InChI=1S/C20H19Cl2N3O3/c1-27-19-7-6-13-15(20(19)28-12-4-2-3-5-12)11-25(26)24-18(13)8-14-16(21)9-23-10-17(14)22/h6-7,9-12H,2-5,8H2,1H3
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224n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50092344
PNG
(CHEMBL3586109)
Show SMILES [H][C@@]12O[C@]1(C)CC[C@]1([H])[C@]2([H])c2c(O)cc(CCCCC)cc2OC1(C)C |r|
Show InChI InChI=1S/C20H19Cl2N3O3/c1-27-19-7-6-13-15(20(19)28-12-4-2-3-5-12)11-25(26)24-18(13)8-14-16(21)9-23-10-17(14)22/h6-7,9-12H,2-5,8H2,1H3
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335n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50092346
PNG
(CHEMBL3586107)
Show SMILES [H][C@@]12CC=C(C)[C@@H](O)[C@@]1([H])c1c(O)cc(CCCCC)cc1OC2(C)C |r,t:3|
Show InChI InChI=1S/C26H23Cl2N3O/c1-32-26-13-12-19-22(20(26)11-7-3-6-10-18-8-4-2-5-9-18)15-30-31-25(19)14-21-23(27)16-29-17-24(21)28/h2,4-5,7-9,11-13,15-17H,3,6,10,14H2,1H3/b11-7+
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830n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50092343
PNG
(CHEMBL3586110)
Show SMILES [H][C@@]12CCC(COC(C)=O)=C[C@@]1([H])c1c(O)c(C(O)=O)c(CCCCC)cc1OC2(C)C |r,c:9|
Show InChI InChI=1S/C24H32O6/c1-5-6-7-8-16-12-19-21(22(26)20(16)23(27)28)17-11-15(13-29-14(2)25)9-10-18(17)24(3,4)30-19/h11-12,17-18,26H,5-10,13H2,1-4H3,(H,27,28)/t17-,18-/m1/s1
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912n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50092348
PNG
(CHEMBL3586104)
Show SMILES [H][C@@]12C=C(C)[C@@H](O)C[C@@]1([H])C(C)(C)Oc1cc(CCCCC)cc(O)c21 |r,t:2|
Show InChI InChI=1S/C26H21Cl2N3O/c1-32-26-13-12-19-22(20(26)11-7-3-6-10-18-8-4-2-5-9-18)15-30-31-25(19)14-21-23(27)16-29-17-24(21)28/h2,4-5,8-9,12-13,15-17H,3,6,10,14H2,1H3
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1.91E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50092342
PNG
(CHEMBL3586111)
Show SMILES [H][C@@]12CC[C@](C)(O)[C@@H](O)[C@@]1([H])c1c(O)cc(CCCCC)cc1OC2(C)C |r|
Show InChI InChI=1S/C21H32O4/c1-5-6-7-8-13-11-15(22)18-16(12-13)25-20(2,3)14-9-10-21(4,24)19(23)17(14)18/h11-12,14,17,19,22-24H,5-10H2,1-4H3/t14-,17-,19+,21+/m1/s1
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2.14E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50092348
PNG
(CHEMBL3586104)
Show SMILES [H][C@@]12C=C(C)[C@@H](O)C[C@@]1([H])C(C)(C)Oc1cc(CCCCC)cc(O)c21 |r,t:2|
Show InChI InChI=1S/C26H21Cl2N3O/c1-32-26-13-12-19-22(20(26)11-7-3-6-10-18-8-4-2-5-9-18)15-30-31-25(19)14-21-23(27)16-29-17-24(21)28/h2,4-5,8-9,12-13,15-17H,3,6,10,14H2,1H3
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3.22E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50092346
PNG
(CHEMBL3586107)
Show SMILES [H][C@@]12CC=C(C)[C@@H](O)[C@@]1([H])c1c(O)cc(CCCCC)cc1OC2(C)C |r,t:3|
Show InChI InChI=1S/C26H23Cl2N3O/c1-32-26-13-12-19-22(20(26)11-7-3-6-10-18-8-4-2-5-9-18)15-30-31-25(19)14-21-23(27)16-29-17-24(21)28/h2,4-5,7-9,11-13,15-17H,3,6,10,14H2,1H3/b11-7+
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3.27E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50092342
PNG
(CHEMBL3586111)
Show SMILES [H][C@@]12CC[C@](C)(O)[C@@H](O)[C@@]1([H])c1c(O)cc(CCCCC)cc1OC2(C)C |r|
Show InChI InChI=1S/C21H32O4/c1-5-6-7-8-13-11-15(22)18-16(12-13)25-20(2,3)14-9-10-21(4,24)19(23)17(14)18/h11-12,14,17,19,22-24H,5-10H2,1-4H3/t14-,17-,19+,21+/m1/s1
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5.67E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50491190
PNG
(CHEMBL2375656)
Show SMILES COc1cc(O)c2c(CC(=O)CCCC(=O)CCC[C@@H](C)OC2=O)c1 |r|
Show InChI InChI=1S/C19H24O6/c1-12-5-3-6-14(20)7-4-8-15(21)9-13-10-16(24-2)11-17(22)18(13)19(23)25-12/h10-12,22H,3-9H2,1-2H3/t12-/m1/s1
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7.31E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]-enkephalin from human delta opioid receptor transfected in CHOK1 cells after 60 mins


J Nat Prod 76: 824-8 (2013)


Article DOI: 10.1021/np300653d
BindingDB Entry DOI: 10.7270/Q2W95D30
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50350090
PNG
(CHEMBL1813662)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6]\c1c(-[#8])cc(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c1-[#6]-[#8]
Show InChI InChI=1S/C19H28O3/c1-4-5-6-7-8-9-16-17(13-20)19(22)15(12-18(16)21)11-10-14(2)3/h8-10,12,20-22H,4-7,11,13H2,1-3H3/b9-8+
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n/an/a 5.40E+3n/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


J Nat Prod 74: 1636-9 (2011)


Article DOI: 10.1021/np200147c
BindingDB Entry DOI: 10.7270/Q27S7P4F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50350092
PNG
(CHEMBL1811938)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6]\c1c(-[#8])cc(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c1-[#6]=O
Show InChI InChI=1S/C19H26O3/c1-4-5-6-7-8-9-16-17(13-20)19(22)15(12-18(16)21)11-10-14(2)3/h8-10,12-13,21-22H,4-7,11H2,1-3H3/b9-8+
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n/an/a 7.20E+3n/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


J Nat Prod 74: 1636-9 (2011)


Article DOI: 10.1021/np200147c
BindingDB Entry DOI: 10.7270/Q27S7P4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50069242
PNG
((6aR,10aS)-4-Methoxy-7,9-dimethyl-4,6,6a,7,8,10a-h...)
Show SMILES COn1cc2C[C@@H]3[C@@H](C=C(C)CN3C)c3cccc1c23 |t:8|
Show InChI InChI=1S/C17H20N2O/c1-11-7-14-13-5-4-6-15-17(13)12(10-19(15)20-3)8-16(14)18(2)9-11/h4-7,10,14,16H,8-9H2,1-3H3/t14-,16+/m0/s1
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n/an/a 8.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 lck autophosphorylation, gamma-[33P]-ATP incorporation


Bioorg Med Chem Lett 8: 569-74 (1999)


BindingDB Entry DOI: 10.7270/Q2WS8SDJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50491190
PNG
(CHEMBL2375656)
Show SMILES COc1cc(O)c2c(CC(=O)CCCC(=O)CCC[C@@H](C)OC2=O)c1 |r|
Show InChI InChI=1S/C19H24O6/c1-12-5-3-6-14(20)7-4-8-15(21)9-13-10-16(24-2)11-17(22)18(13)19(23)25-12/h10-12,22H,3-9H2,1-2H3/t12-/m1/s1
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n/an/a 1.46E+4n/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]-enkephalin from human delta opioid receptor transfected in CHOK1 cells after 60 mins


J Nat Prod 76: 824-8 (2013)


Article DOI: 10.1021/np300653d
BindingDB Entry DOI: 10.7270/Q2W95D30
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50350089
PNG
(CHEMBL1813666)
Show SMILES [#6]\[#6]=[#6]\[#6]=[#6]\[#6]=[#6]\c1c(-[#8])cc(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c1-[#6]=O
Show InChI InChI=1S/C19H22O3/c1-4-5-6-7-8-9-16-17(13-20)19(22)15(12-18(16)21)11-10-14(2)3/h4-10,12-13,21-22H,11H2,1-3H3/b5-4+,7-6+,9-8+
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n/an/a 1.52E+4n/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB1 receptor expressed in CHO-K1 cells after 90 mins by scintillation counting


J Nat Prod 74: 1636-9 (2011)


Article DOI: 10.1021/np200147c
BindingDB Entry DOI: 10.7270/Q27S7P4F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50350089
PNG
(CHEMBL1813666)
Show SMILES [#6]\[#6]=[#6]\[#6]=[#6]\[#6]=[#6]\c1c(-[#8])cc(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c1-[#6]=O
Show InChI InChI=1S/C19H22O3/c1-4-5-6-7-8-9-16-17(13-20)19(22)15(12-18(16)21)11-10-14(2)3/h4-10,12-13,21-22H,11H2,1-3H3/b5-4+,7-6+,9-8+
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n/an/a 1.99E+4n/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO-K1 cells after 90 mins by scintillation counting


J Nat Prod 74: 1636-9 (2011)


Article DOI: 10.1021/np200147c
BindingDB Entry DOI: 10.7270/Q27S7P4F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50350091
PNG
(CHEMBL1813663)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6]\c1c2-[#6]-[#6](-[#8])-[#8]-c2c(-[#6]\[#6]=[#6](\[#6])-[#6])cc1-[#8]
Show InChI InChI=1S/C20H28O3/c1-4-5-6-7-8-9-16-17-13-19(22)23-20(17)15(12-18(16)21)11-10-14(2)3/h8-10,12,19,21-22H,4-7,11,13H2,1-3H3/b9-8+
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n/an/a 3.24E+4n/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-Binaltorphimine from human kappa opioid receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


J Nat Prod 74: 1636-9 (2011)


Article DOI: 10.1021/np200147c
BindingDB Entry DOI: 10.7270/Q27S7P4F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50069242
PNG
((6aR,10aS)-4-Methoxy-7,9-dimethyl-4,6,6a,7,8,10a-h...)
Show SMILES COn1cc2C[C@@H]3[C@@H](C=C(C)CN3C)c3cccc1c23 |t:8|
Show InChI InChI=1S/C17H20N2O/c1-11-7-14-13-5-4-6-15-17(13)12(10-19(15)20-3)8-16(14)18(2)9-11/h4-7,10,14,16H,8-9H2,1-3H3/t14-,16+/m0/s1
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n/an/a 2.85E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p72 syk autophosphorylation


Bioorg Med Chem Lett 8: 569-74 (1999)


BindingDB Entry DOI: 10.7270/Q2WS8SDJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/an/an/a 6.30n/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor transfected in CHOK1 cells after 60 mins by [35S]GTPgammaS binding assay


J Nat Prod 76: 824-8 (2013)


Article DOI: 10.1021/np300653d
BindingDB Entry DOI: 10.7270/Q2W95D30
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50491190
PNG
(CHEMBL2375656)
Show SMILES COc1cc(O)c2c(CC(=O)CCCC(=O)CCC[C@@H](C)OC2=O)c1 |r|
Show InChI InChI=1S/C19H24O6/c1-12-5-3-6-14(20)7-4-8-15(21)9-13-10-16(24-2)11-17(22)18(13)19(23)25-12/h10-12,22H,3-9H2,1-2H3/t12-/m1/s1
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n/an/an/an/a 239n/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor transfected in CHOK1 cells after 60 mins by [35S]GTPgammaS binding assay


J Nat Prod 76: 824-8 (2013)


Article DOI: 10.1021/np300653d
BindingDB Entry DOI: 10.7270/Q2W95D30
More data for this
Ligand-Target Pair