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Compile Data Set for Download or QSAR

Found 2134 hits with Last Name = 'zhou' and Initial = 'q'   
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


(Cavia porcellus (domestic guinea pig))
BDBM50001023
PNG
((2R,6R,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18+/m0/s1
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0.0520n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
BindingDB Entry DOI: 10.7270/Q2Z31Z09
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007102
PNG
(6,11-Dimethyl-3-(tetrahydro-furan-2-ylmethyl)-1,2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C[C@@H]1CCCO1 |THB:16:15:1:10.4.3|
Show InChI InChI=1S/C19H27NO2/c1-13-18-10-14-5-6-15(21)11-17(14)19(13,2)7-8-20(18)12-16-4-3-9-22-16/h5-6,11,13,16,18,21H,3-4,7-10,12H2,1-2H3/t13-,16-,18+,19-/m0/s1
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0.0730n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
BindingDB Entry DOI: 10.7270/Q2Z31Z09
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50001023
PNG
((2R,6R,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18+/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
BindingDB Entry DOI: 10.7270/Q2Z31Z09
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50007102
PNG
(6,11-Dimethyl-3-(tetrahydro-furan-2-ylmethyl)-1,2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C[C@@H]1CCCO1 |THB:16:15:1:10.4.3|
Show InChI InChI=1S/C19H27NO2/c1-13-18-10-14-5-6-15(21)11-17(14)19(13,2)7-8-20(18)12-16-4-3-9-22-16/h5-6,11,13,16,18,21H,3-4,7-10,12H2,1-2H3/t13-,16-,18+,19-/m0/s1
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0.170n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
BindingDB Entry DOI: 10.7270/Q2Z31Z09
More data for this
Ligand-Target Pair
Prokineticin receptor 2 (PRK2)


(Cricetulus griseus (Chinese hamster))
BDBM121106
PNG
(US8722896, (-)-(3R)-1-(Indolin-4-ylmethyl)- N-(9-c...)
Show SMILES CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)[C@@H]1CCN(Cc2cccc3NCCc23)C1 |r|
Show InChI InChI=1S/C28H36ClN3O3/c1-19(2)15-32(16-20-13-24(29)27-26(14-20)34-11-4-12-35-27)28(33)22-8-10-31(18-22)17-21-5-3-6-25-23(21)7-9-30-25/h3,5-6,13-14,19,22,30H,4,7-12,15-18H2,1-2H3/t22-/m1/s1
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US Patent
0.206 -57.5n/an/an/an/an/an/a37



The Regents of the University of California

US Patent


Assay Description
An aequorin-based luminescent assay for calcium mobilization was used to measure mobilization of intracellular Ca2+ (Bullock et al., Mol Pharmacol 65...


US Patent US8722896 (2014)


BindingDB Entry DOI: 10.7270/Q29G5KGF
More data for this
Ligand-Target Pair
Prokineticin receptor 2 (PRK2)


(Cricetulus griseus (Chinese hamster))
BDBM121324
PNG
(US8722896, (-)-(2R)-2-Methyl-3-((3- hydroxy)benzyl...)
Show SMILES CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)[C@H](C)CNCc1cccc(O)c1 |r|
Show InChI InChI=1S/C25H33ClN2O4/c1-17(2)15-28(16-20-11-22(26)24-23(12-20)31-8-5-9-32-24)25(30)18(3)13-27-14-19-6-4-7-21(29)10-19/h4,6-7,10-12,17-18,27,29H,5,8-9,13-16H2,1-3H3/t18-/m1/s1
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US Patent
0.280 -56.7n/an/an/an/an/an/a37



The Regents of the University of California

US Patent


Assay Description
An aequorin-based luminescent assay for calcium mobilization was used to measure mobilization of intracellular Ca2+ (Bullock et al., Mol Pharmacol 65...


US Patent US8722896 (2014)


BindingDB Entry DOI: 10.7270/Q29G5KGF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123995
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES COc1ccc(Nc2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)cc1 |TLB:20:19:13:24.10.11,25:24:13:19.17.18|
Show InChI InChI=1S/C25H32N2O/c1-17-24-14-19-6-7-21(26-20-8-10-22(28-3)11-9-20)15-23(19)25(17,2)12-13-27(24)16-18-4-5-18/h6-11,15,17-18,24,26H,4-5,12-14,16H2,1-3H3/t17-,24?,25-/m0/s1
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0.290n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
BindingDB Entry DOI: 10.7270/Q2Z31Z09
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8143
PNG
(N-[3-bromo-5-(trifluoromethyl)phenyl]-4-{pyrazolo[...)
Show SMILES FC(F)(F)c1cc(Br)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1
Show InChI InChI=1S/C17H10BrF3N6/c18-11-6-10(17(19,20)21)7-12(8-11)25-16-22-5-3-14(26-16)13-9-24-27-15(13)2-1-4-23-27/h1-9H,(H,22,25,26)
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0.300n/a<10n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...


J Med Chem 47: 4716-30 (2004)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2VM49HJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50123995
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES COc1ccc(Nc2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)cc1 |TLB:20:19:13:24.10.11,25:24:13:19.17.18|
Show InChI InChI=1S/C25H32N2O/c1-17-24-14-19-6-7-21(26-20-8-10-22(28-3)11-9-20)15-23(19)25(17,2)12-13-27(24)16-18-4-5-18/h6-11,15,17-18,24,26H,4-5,12-14,16H2,1-3H3/t17-,24?,25-/m0/s1
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0.470n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
BindingDB Entry DOI: 10.7270/Q2Z31Z09
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123997
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4cccnc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:22:21:1:16.4.3,15:16:1:21.19.20|
Show InChI InChI=1S/C23H29N3/c1-16-22-12-18-7-8-19(25-20-4-3-10-24-14-20)13-21(18)23(16,2)9-11-26(22)15-17-5-6-17/h3-4,7-8,10,13-14,16-17,22,25H,5-6,9,11-12,15H2,1-2H3/t16-,22?,23-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
BindingDB Entry DOI: 10.7270/Q2Z31Z09
More data for this
Ligand-Target Pair
Prokineticin receptor 2 (PRK2)


(Cricetulus griseus (Chinese hamster))
BDBM121105
PNG
(US8722896, (-)-(3R)-1-(Indol-7-ylmethyl)-N- (9-chl...)
Show SMILES CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)[C@@H]1CCN(Cc2cccc3cc[nH]c23)C1 |r|
Show InChI InChI=1S/C28H34ClN3O3/c1-19(2)15-32(16-20-13-24(29)27-25(14-20)34-11-4-12-35-27)28(33)23-8-10-31(18-23)17-22-6-3-5-21-7-9-30-26(21)22/h3,5-7,9,13-14,19,23,30H,4,8,10-12,15-18H2,1-2H3/t23-/m1/s1
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US Patent
0.514 -55.2n/an/an/an/an/an/a37



The Regents of the University of California

US Patent


Assay Description
An aequorin-based luminescent assay for calcium mobilization was used to measure mobilization of intracellular Ca2+ (Bullock et al., Mol Pharmacol 65...


US Patent US8722896 (2014)


BindingDB Entry DOI: 10.7270/Q29G5KGF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297321
PNG
(CHEMBL551613 | Isoindolin-2-yl(4-(spiro[chromene-2...)
Show SMILES O=C(N1Cc2ccccc2C1)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:20|
Show InChI InChI=1S/C28H26N2O2/c31-27(30-18-22-5-1-2-6-23(22)19-30)21-11-9-20(10-12-21)25-17-28(13-15-29-16-14-28)32-26-8-4-3-7-24(25)26/h1-12,17,29H,13-16,18-19H2
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0.530n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50085020
PNG
(((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,...)
Show SMILES [H][C@]12Cc3ccc(Nc4ccccc4)cc3[C@@](C)(CCN1CC1CC1)[C@H]2C |THB:21:20:25:15.3.2,14:15:25:20.18.19|
Show InChI InChI=1S/C24H30N2/c1-17-23-14-19-10-11-21(25-20-6-4-3-5-7-20)15-22(19)24(17,2)12-13-26(23)16-18-8-9-18/h3-7,10-11,15,17-18,23,25H,8-9,12-14,16H2,1-2H3/t17-,23?,24-/m0/s1
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0.540n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
BindingDB Entry DOI: 10.7270/Q2Z31Z09
More data for this
Ligand-Target Pair
Prokineticin receptor 2 (PRK2)


(Cricetulus griseus (Chinese hamster))
BDBM121086
PNG
(US8722896, (-)-(3R)-1-(3-Hydroxybenzyl)- N-(9-chlo...)
Show SMILES CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)[C@@H]1CCN(Cc2cccc(O)c2)C1 |r|
Show InChI InChI=1S/C26H33ClN2O4/c1-18(2)14-29(16-20-12-23(27)25-24(13-20)32-9-4-10-33-25)26(31)21-7-8-28(17-21)15-19-5-3-6-22(30)11-19/h3,5-6,11-13,18,21,30H,4,7-10,14-17H2,1-2H3/t21-/m1/s1
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0.550 -55.0n/an/an/an/an/an/a37



The Regents of the University of California

US Patent


Assay Description
An aequorin-based luminescent assay for calcium mobilization was used to measure mobilization of intracellular Ca2+ (Bullock et al., Mol Pharmacol 65...


US Patent US8722896 (2014)


BindingDB Entry DOI: 10.7270/Q29G5KGF
More data for this
Ligand-Target Pair
Prokineticin receptor 1 (PRK1)


(Cricetulus griseus (Chinese hamster))
BDBM121307
PNG
(US8722896, (-)-(3R)-1-(Indolin-4-ylmethyl)- N-(9-c...)
Show SMILES CC(C)CN(Cc1cc(Cl)c2OCCCCc2c1)C(=O)C1CCN(Cc2cccc3NCCc23)C1
Show InChI InChI=1S/C29H38ClN3O2/c1-20(2)16-33(17-21-14-22-6-3-4-13-35-28(22)26(30)15-21)29(34)24-10-12-32(19-24)18-23-7-5-8-27-25(23)9-11-31-27/h5,7-8,14-15,20,24,31H,3-4,6,9-13,16-19H2,1-2H3
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0.560 -54.9n/an/an/an/an/an/a37



The Regents of the University of California

US Patent


Assay Description
An aequorin-based luminescent assay for calcium mobilization was used to measure mobilization of intracellular Ca2+ (Bullock et al., Mol Pharmacol 65...


US Patent US8722896 (2014)


BindingDB Entry DOI: 10.7270/Q29G5KGF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123988
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccc(C)cc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:23:22:1:17.4.3,16:17:1:22.20.21|
Show InChI InChI=1S/C25H32N2/c1-17-4-9-21(10-5-17)26-22-11-8-20-14-24-18(2)25(3,23(20)15-22)12-13-27(24)16-19-6-7-19/h4-5,8-11,15,18-19,24,26H,6-7,12-14,16H2,1-3H3/t18-,24?,25-/m0/s1
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0.570n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
BindingDB Entry DOI: 10.7270/Q2Z31Z09
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001023
PNG
((2R,6R,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18+/m0/s1
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0.580n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
BindingDB Entry DOI: 10.7270/Q2Z31Z09
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50123997
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4cccnc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:22:21:1:16.4.3,15:16:1:21.19.20|
Show InChI InChI=1S/C23H29N3/c1-16-22-12-18-7-8-19(25-20-4-3-10-24-14-20)13-21(18)23(16,2)9-11-26(22)15-17-5-6-17/h3-4,7-8,10,13-14,16-17,22,25H,5-6,9,11-12,15H2,1-2H3/t16-,22?,23-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
BindingDB Entry DOI: 10.7270/Q2Z31Z09
More data for this
Ligand-Target Pair
Prokineticin receptor 2 (PRK2)


(Cricetulus griseus (Chinese hamster))
BDBM121068
PNG
(US8722896, (-)-(3R)-1-(2-Methoxybenzyl)- N-(9-chlo...)
Show SMILES COc1ccccc1CN1CC[C@H](C1)C(=O)N(CC(C)C)Cc1cc(Cl)c2OCCCOc2c1 |r|
Show InChI InChI=1S/C27H35ClN2O4/c1-19(2)15-30(16-20-13-23(28)26-25(14-20)33-11-6-12-34-26)27(31)22-9-10-29(18-22)17-21-7-4-5-8-24(21)32-3/h4-5,7-8,13-14,19,22H,6,9-12,15-18H2,1-3H3/t22-/m1/s1
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0.680 -54.4n/an/an/an/an/an/a37



The Regents of the University of California

US Patent


Assay Description
An aequorin-based luminescent assay for calcium mobilization was used to measure mobilization of intracellular Ca2+ (Bullock et al., Mol Pharmacol 65...


US Patent US8722896 (2014)


BindingDB Entry DOI: 10.7270/Q29G5KGF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297339
PNG
(CHEMBL557458 | N,N-Diethyl-2-hydroxy-4-(spiro[chro...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1O)C1=CC2(CCNCC2)Oc2ccccc12 |t:15|
Show InChI InChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)19-10-9-17(15-21(19)27)20-16-24(11-13-25-14-12-24)29-22-8-6-5-7-18(20)22/h5-10,15-16,25,27H,3-4,11-14H2,1-2H3
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0.690n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
More data for this
Ligand-Target Pair
Prokineticin receptor 2 (PRK2)


(Cricetulus griseus (Chinese hamster))
BDBM121116
PNG
(US8722896, (-)-(3R)-N-(9-chloro-3,4- dihydro-2H-1,...)
Show SMILES COc1ncccc1CN1CC[C@H](C1)C(=O)N(CC(C)C)Cc1cc(Cl)c2OCCCOc2c1 |r|
Show InChI InChI=1S/C26H34ClN3O4/c1-18(2)14-30(15-19-12-22(27)24-23(13-19)33-10-5-11-34-24)26(31)21-7-9-29(17-21)16-20-6-4-8-28-25(20)32-3/h4,6,8,12-13,18,21H,5,7,9-11,14-17H2,1-3H3/t21-/m1/s1
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0.710 -54.3n/an/an/an/an/an/a37



The Regents of the University of California

US Patent


Assay Description
An aequorin-based luminescent assay for calcium mobilization was used to measure mobilization of intracellular Ca2+ (Bullock et al., Mol Pharmacol 65...


US Patent US8722896 (2014)


BindingDB Entry DOI: 10.7270/Q29G5KGF
More data for this
Ligand-Target Pair
Prokineticin receptor 2 (PRK2)


(Cricetulus griseus (Chinese hamster))
BDBM121040
PNG
(US8722896, (+/-)-2-Methyl-3-((2- methoxy)benzylami...)
Show SMILES COc1ccccc1CNCC(C)C(=O)N(CC(C)C)Cc1cc(Cl)c2OCCCOc2c1
Show InChI InChI=1S/C26H35ClN2O4/c1-18(2)16-29(17-20-12-22(27)25-24(13-20)32-10-7-11-33-25)26(30)19(3)14-28-15-21-8-5-6-9-23(21)31-4/h5-6,8-9,12-13,18-19,28H,7,10-11,14-17H2,1-4H3
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0.720 -54.3n/an/an/an/an/an/a37



The Regents of the University of California

US Patent


Assay Description
An aequorin-based luminescent assay for calcium mobilization was used to measure mobilization of intracellular Ca2+ (Bullock et al., Mol Pharmacol 65...


US Patent US8722896 (2014)


BindingDB Entry DOI: 10.7270/Q29G5KGF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50000091
PNG
((6S,11R)-3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(O)cc21 |TLB:6:5:13.21.15:11,14:13:11:5.3.4,THB:20:21:11:5.3.4|
Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17?,19-/m0/s1
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0.780n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
BindingDB Entry DOI: 10.7270/Q2Z31Z09
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50124002
PNG
(8-Amino-3-cyclopropylmethyl-6,11-dimethyl-3,4,5,6-...)
Show SMILES C[C@H]1C2N(CC3CC3)CC[C@]1(C)c1cc(N)ccc1C2=O |TLB:4:3:19.12.18:1,13:12:1:3.9.8,THB:20:19:1:3.9.8|
Show InChI InChI=1S/C18H24N2O/c1-11-16-17(21)14-6-5-13(19)9-15(14)18(11,2)7-8-20(16)10-12-3-4-12/h5-6,9,11-12,16H,3-4,7-8,10,19H2,1-2H3/t11-,16?,18-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
BindingDB Entry DOI: 10.7270/Q2Z31Z09
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213144
PNG
(CHEMBL233184 | morpholin-4-yl-acetic acid 4-(1,1-d...)
Show SMILES CCCCCCC(C)(C)c1ccc(c(COC(=O)CN2CCOCC2)c1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C30H43NO3/c1-6-7-8-9-12-30(4,5)27-10-11-28(25-18-23(2)17-24(3)19-25)26(20-27)22-34-29(32)21-31-13-15-33-16-14-31/h10-11,17-20H,6-9,12-16,21-22H2,1-5H3
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0.810n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from cloned human CB2 receptor


Bioorg Med Chem Lett 17: 3652-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.059
BindingDB Entry DOI: 10.7270/Q2GM8703
More data for this
Ligand-Target Pair
Prokineticin receptor 2 (PRK2)


(Cricetulus griseus (Chinese hamster))
BDBM121070
PNG
(US8722896, (-)-(3R)-1-(2-Methoxybenzyl)- N-(9-fluo...)
Show SMILES COc1ccccc1CN1CC[C@H](C1)C(=O)N(CC(C)C)Cc1cc(F)c2OCCCOc2c1 |r|
Show InChI InChI=1S/C27H35FN2O4/c1-19(2)15-30(16-20-13-23(28)26-25(14-20)33-11-6-12-34-26)27(31)22-9-10-29(18-22)17-21-7-4-5-8-24(21)32-3/h4-5,7-8,13-14,19,22H,6,9-12,15-18H2,1-3H3/t22-/m1/s1
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US Patent
0.810 -54.0n/an/an/an/an/an/a37



The Regents of the University of California

US Patent


Assay Description
An aequorin-based luminescent assay for calcium mobilization was used to measure mobilization of intracellular Ca2+ (Bullock et al., Mol Pharmacol 65...


US Patent US8722896 (2014)


BindingDB Entry DOI: 10.7270/Q29G5KGF
More data for this
Ligand-Target Pair
Prokineticin receptor 2 (PRK2)


(Cricetulus griseus (Chinese hamster))
BDBM121319
PNG
(US8722896, (+/-)-2-Methyl-3-((3- acetoxy)benzylami...)
Show SMILES CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)C(C)CNCc1cccc(OC(C)=O)c1
Show InChI InChI=1S/C27H35ClN2O5/c1-18(2)16-30(17-22-12-24(28)26-25(13-22)33-9-6-10-34-26)27(32)19(3)14-29-15-21-7-5-8-23(11-21)35-20(4)31/h5,7-8,11-13,18-19,29H,6,9-10,14-17H2,1-4H3
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0.890 -53.7n/an/an/an/an/an/a37



The Regents of the University of California

US Patent


Assay Description
An aequorin-based luminescent assay for calcium mobilization was used to measure mobilization of intracellular Ca2+ (Bullock et al., Mol Pharmacol 65...


US Patent US8722896 (2014)


BindingDB Entry DOI: 10.7270/Q29G5KGF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50123988
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccc(C)cc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:23:22:1:17.4.3,16:17:1:22.20.21|
Show InChI InChI=1S/C25H32N2/c1-17-4-9-21(10-5-17)26-22-11-8-20-14-24-18(2)25(3,23(20)15-22)12-13-27(24)16-19-6-7-19/h4-5,8-11,15,18-19,24,26H,6-7,12-14,16H2,1-3H3/t18-,24?,25-/m0/s1
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0.910n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
BindingDB Entry DOI: 10.7270/Q2Z31Z09
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297329
PNG
((R)-N,N-diethyl-4-(spiro[chroman-2,4'-piperidine]-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@H]1CC2(CCNCC2)Oc2ccccc12 |r|
Show InChI InChI=1S/C24H30N2O2/c1-3-26(4-2)23(27)19-11-9-18(10-12-19)21-17-24(13-15-25-16-14-24)28-22-8-6-5-7-20(21)22/h5-12,21,25H,3-4,13-17H2,1-2H3/t21-/m1/s1
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0.930n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
More data for this
Ligand-Target Pair
Prokineticin receptor 2 (PRK2)


(Cricetulus griseus (Chinese hamster))
BDBM121324
PNG
(US8722896, (-)-(2R)-2-Methyl-3-((3- hydroxy)benzyl...)
Show SMILES CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)[C@H](C)CNCc1cccc(O)c1 |r|
Show InChI InChI=1S/C25H33ClN2O4/c1-17(2)15-28(16-20-11-22(26)24-23(12-20)31-8-5-9-32-24)25(30)18(3)13-27-14-19-6-4-7-21(29)10-19/h4,6-7,10-12,17-18,27,29H,5,8-9,13-16H2,1-3H3/t18-/m1/s1
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0.930 -53.6n/an/an/an/an/an/a37



The Regents of the University of California

US Patent


Assay Description
An aequorin-based luminescent assay for calcium mobilization was used to measure mobilization of intracellular Ca2+ (Bullock et al., Mol Pharmacol 65...


US Patent US8722896 (2014)


BindingDB Entry DOI: 10.7270/Q29G5KGF
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8136
PNG
(N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{pyrazolo[1...)
Show SMILES C1COc2cc(Nc3nccc(n3)-c3cnn4ncccc34)ccc2O1
Show InChI InChI=1S/C18H14N6O2/c1-2-15-13(11-21-24(15)20-6-1)14-5-7-19-18(23-14)22-12-3-4-16-17(10-12)26-9-8-25-16/h1-7,10-11H,8-9H2,(H,19,22,23)
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1n/a<10n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...


J Med Chem 47: 4716-30 (2004)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2VM49HJ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8146
PNG
(N-(3,5-dimethylphenyl)-4-{pyrazolo[1,5-a]pyridazin...)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1
Show InChI InChI=1S/C18H16N6/c1-12-8-13(2)10-14(9-12)22-18-19-7-5-16(23-18)15-11-21-24-17(15)4-3-6-20-24/h3-11H,1-2H3,(H,19,22,23)
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1n/a<10n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...


J Med Chem 47: 4716-30 (2004)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2VM49HJ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8145
PNG
(N-(3,5-dichlorophenyl)-4-{pyrazolo[1,5-a]pyridazin...)
Show SMILES Clc1cc(Cl)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1
Show InChI InChI=1S/C16H10Cl2N6/c17-10-6-11(18)8-12(7-10)22-16-19-5-3-14(23-16)13-9-21-24-15(13)2-1-4-20-24/h1-9H,(H,19,22,23)
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1n/a<10n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...


J Med Chem 47: 4716-30 (2004)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2VM49HJ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8138
PNG
(N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-{pyraz...)
Show SMILES C1COc2ccc(Nc3nccc(n3)-c3cnn4ncccc34)cc2OC1
Show InChI InChI=1S/C19H16N6O2/c1-3-16-14(12-22-25(16)21-7-1)15-6-8-20-19(24-15)23-13-4-5-17-18(11-13)27-10-2-9-26-17/h1,3-8,11-12H,2,9-10H2,(H,20,23,24)
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1n/a<10n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...


J Med Chem 47: 4716-30 (2004)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2VM49HJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123985
PNG
(3-Cyclopropylmethyl-8-hydroxy-6,11-dimethyl-3,4,5,...)
Show SMILES C[C@H]1C2N(CC3CC3)CC[C@]1(C)c1cc(O)ccc1C2=O |TLB:4:3:19.12.18:1,13:12:1:3.9.8,THB:20:19:1:3.9.8|
Show InChI InChI=1S/C18H23NO2/c1-11-16-17(21)14-6-5-13(20)9-15(14)18(11,2)7-8-19(16)10-12-3-4-12/h5-6,9,11-12,16,20H,3-4,7-8,10H2,1-2H3/t11-,16?,18-/m0/s1
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1n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
BindingDB Entry DOI: 10.7270/Q2Z31Z09
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213141
PNG
(4-(1,1-dimethyl-heptyl)-2'-methoxy-biphenyl-2-ol |...)
Show SMILES CCCCCCC(C)(C)c1ccc(c(O)c1)-c1ccccc1OC
Show InChI InChI=1S/C22H30O2/c1-5-6-7-10-15-22(2,3)17-13-14-18(20(23)16-17)19-11-8-9-12-21(19)24-4/h8-9,11-14,16,23H,5-7,10,15H2,1-4H3
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1n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from cloned human CB2 receptor


Bioorg Med Chem Lett 17: 3652-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.059
BindingDB Entry DOI: 10.7270/Q2GM8703
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123993
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES COc1cccc(Nc2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)c1 |TLB:21:20:14:25.11.12,26:25:14:20.18.19|
Show InChI InChI=1S/C25H32N2O/c1-17-24-13-19-9-10-21(26-20-5-4-6-22(14-20)28-3)15-23(19)25(17,2)11-12-27(24)16-18-7-8-18/h4-6,9-10,14-15,17-18,24,26H,7-8,11-13,16H2,1-3H3/t17-,24?,25-/m0/s1
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1n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
BindingDB Entry DOI: 10.7270/Q2Z31Z09
More data for this
Ligand-Target Pair
Prokineticin receptor 2 (PRK2)


(Cricetulus griseus (Chinese hamster))
BDBM121088
PNG
(US8722896, (-)-(3R)-1-(3-Methoxybenzyl)- N-(9-chlo...)
Show SMILES COc1cccc(CN2CC[C@H](C2)C(=O)N(CC(C)C)Cc2cc(Cl)c3OCCCOc3c2)c1 |r|
Show InChI InChI=1S/C27H35ClN2O4/c1-19(2)15-30(17-21-13-24(28)26-25(14-21)33-10-5-11-34-26)27(31)22-8-9-29(18-22)16-20-6-4-7-23(12-20)32-3/h4,6-7,12-14,19,22H,5,8-11,15-18H2,1-3H3/t22-/m1/s1
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1.03 -53.4n/an/an/an/an/an/a37



The Regents of the University of California

US Patent


Assay Description
An aequorin-based luminescent assay for calcium mobilization was used to measure mobilization of intracellular Ca2+ (Bullock et al., Mol Pharmacol 65...


US Patent US8722896 (2014)


BindingDB Entry DOI: 10.7270/Q29G5KGF
More data for this
Ligand-Target Pair
Prokineticin receptor 2 (PRK2)


(Cricetulus griseus (Chinese hamster))
BDBM121156
PNG
(US8722896, (+/-)-2-Methyl-3-(1-((2- methoxypyridin...)
Show SMILES COc1ncccc1CNCC(C)C(=O)N(CC(C)C)Cc1cc(Cl)c2OCCCOc2c1
Show InChI InChI=1S/C25H34ClN3O4/c1-17(2)15-29(16-19-11-21(26)23-22(12-19)32-9-6-10-33-23)25(30)18(3)13-27-14-20-7-5-8-28-24(20)31-4/h5,7-8,11-12,17-18,27H,6,9-10,13-16H2,1-4H3
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1.06 -53.3n/an/an/an/an/an/a37



The Regents of the University of California

US Patent


Assay Description
An aequorin-based luminescent assay for calcium mobilization was used to measure mobilization of intracellular Ca2+ (Bullock et al., Mol Pharmacol 65...


US Patent US8722896 (2014)


BindingDB Entry DOI: 10.7270/Q29G5KGF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123994
PNG
(8-Amino-3-cyclopropylmethyl-6-ethyl-11-methyl-3,4,...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(N)cc21 |TLB:6:5:13.21.15:11,14:13:11:5.3.4,THB:20:21:11:5.3.4|
Show InChI InChI=1S/C19H26N2O/c1-3-19-8-9-21(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(20)10-16(15)19/h6-7,10,12-13,17H,3-5,8-9,11,20H2,1-2H3/t12-,17?,19-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
BindingDB Entry DOI: 10.7270/Q2Z31Z09
More data for this
Ligand-Target Pair
Prokineticin receptor 1 (PRK1)


(Cricetulus griseus (Chinese hamster))
BDBM121274
PNG
(US8722896, (+/-)-4-(Indol-7-ylmethyl)-N-(9- chloro...)
Show SMILES CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)C1CN(Cc2cccc3cc[nH]c23)CCO1
Show InChI InChI=1S/C28H34ClN3O4/c1-19(2)15-32(16-20-13-23(29)27-24(14-20)34-10-4-11-36-27)28(33)25-18-31(9-12-35-25)17-22-6-3-5-21-7-8-30-26(21)22/h3,5-8,13-14,19,25,30H,4,9-12,15-18H2,1-2H3
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1.13 -53.1n/an/an/an/an/an/a37



The Regents of the University of California

US Patent


Assay Description
An aequorin-based luminescent assay for calcium mobilization was used to measure mobilization of intracellular Ca2+ (Bullock et al., Mol Pharmacol 65...


US Patent US8722896 (2014)


BindingDB Entry DOI: 10.7270/Q29G5KGF
More data for this
Ligand-Target Pair
Prokineticin receptor 1 (PRK1)


(Cricetulus griseus (Chinese hamster))
BDBM121324
PNG
(US8722896, (-)-(2R)-2-Methyl-3-((3- hydroxy)benzyl...)
Show SMILES CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)[C@H](C)CNCc1cccc(O)c1 |r|
Show InChI InChI=1S/C25H33ClN2O4/c1-17(2)15-28(16-20-11-22(26)24-23(12-20)31-8-5-9-32-24)25(30)18(3)13-27-14-19-6-4-7-21(29)10-19/h4,6-7,10-12,17-18,27,29H,5,8-9,13-16H2,1-3H3/t18-/m1/s1
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1.15 -53.1n/an/an/an/an/an/a37



The Regents of the University of California

US Patent


Assay Description
An aequorin-based luminescent assay for calcium mobilization was used to measure mobilization of intracellular Ca2+ (Bullock et al., Mol Pharmacol 65...


US Patent US8722896 (2014)


BindingDB Entry DOI: 10.7270/Q29G5KGF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297338
PNG
(CHEMBL562873 | N,N-Diethyl-2-fluoro-4-(spiro[chrom...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1F)C1=CC2(CCNCC2)Oc2ccccc12 |t:15|
Show InChI InChI=1S/C24H27FN2O2/c1-3-27(4-2)23(28)19-10-9-17(15-21(19)25)20-16-24(11-13-26-14-12-24)29-22-8-6-5-7-18(20)22/h5-10,15-16,26H,3-4,11-14H2,1-2H3
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1.20n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297316
PNG
(CHEMBL561882 | N,N-Diisopropyl-4-(spiro[chromene-2...)
Show SMILES CC(C)N(C(C)C)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:16|
Show InChI InChI=1S/C26H32N2O2/c1-18(2)28(19(3)4)25(29)21-11-9-20(10-12-21)23-17-26(13-15-27-16-14-26)30-24-8-6-5-7-22(23)24/h5-12,17-19,27H,13-16H2,1-4H3
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1.20n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50092176
PNG
(3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexa...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(N)cc3[C@@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C18H26N2/c1-12-17-9-14-5-6-15(19)10-16(14)18(12,2)7-8-20(17)11-13-3-4-13/h5-6,10,12-13,17H,3-4,7-9,11,19H2,1-2H3/t12-,17+,18-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
BindingDB Entry DOI: 10.7270/Q2Z31Z09
More data for this
Ligand-Target Pair
Prokineticin receptor 1 (PRK1)


(Cricetulus griseus (Chinese hamster))
BDBM121105
PNG
(US8722896, (-)-(3R)-1-(Indol-7-ylmethyl)-N- (9-chl...)
Show SMILES CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)[C@@H]1CCN(Cc2cccc3cc[nH]c23)C1 |r|
Show InChI InChI=1S/C28H34ClN3O3/c1-19(2)15-32(16-20-13-24(29)27-25(14-20)34-11-4-12-35-27)28(33)23-8-10-31(18-23)17-22-6-3-5-21-7-9-30-26(21)22/h3,5-7,9,13-14,19,23,30H,4,8,10-12,15-18H2,1-2H3/t23-/m1/s1
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1.22 -52.9n/an/an/an/an/an/a37



The Regents of the University of California

US Patent


Assay Description
An aequorin-based luminescent assay for calcium mobilization was used to measure mobilization of intracellular Ca2+ (Bullock et al., Mol Pharmacol 65...


US Patent US8722896 (2014)


BindingDB Entry DOI: 10.7270/Q29G5KGF
More data for this
Ligand-Target Pair
Prokineticin receptor 2 (PRK2)


(Cricetulus griseus (Chinese hamster))
BDBM121261
PNG
(US8722896, (-)-(3R)-1-(N-methyl-indol-4- ylmethyl)...)
Show SMILES CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)C1CCCN(Cc2cccc3n(C)ccc23)C1
Show InChI InChI=1S/C30H38ClN3O3/c1-21(2)17-34(18-22-15-26(31)29-28(16-22)36-13-6-14-37-29)30(35)24-8-5-11-33(20-24)19-23-7-4-9-27-25(23)10-12-32(27)3/h4,7,9-10,12,15-16,21,24H,5-6,8,11,13-14,17-20H2,1-3H3
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1.24 -52.9n/an/an/an/an/an/a37



The Regents of the University of California

US Patent


Assay Description
An aequorin-based luminescent assay for calcium mobilization was used to measure mobilization of intracellular Ca2+ (Bullock et al., Mol Pharmacol 65...


US Patent US8722896 (2014)


BindingDB Entry DOI: 10.7270/Q29G5KGF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50085020
PNG
(((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,...)
Show SMILES [H][C@]12Cc3ccc(Nc4ccccc4)cc3[C@@](C)(CCN1CC1CC1)[C@H]2C |THB:21:20:25:15.3.2,14:15:25:20.18.19|
Show InChI InChI=1S/C24H30N2/c1-17-23-14-19-10-11-21(25-20-6-4-3-5-7-20)15-22(19)24(17,2)12-13-26(23)16-18-8-9-18/h3-7,10-11,15,17-18,23,25H,8-9,12-14,16H2,1-2H3/t17-,23?,24-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
BindingDB Entry DOI: 10.7270/Q2Z31Z09
More data for this
Ligand-Target Pair
Prokineticin receptor 2 (PRK2)


(Cricetulus griseus (Chinese hamster))
BDBM121040
PNG
(US8722896, (+/-)-2-Methyl-3-((2- methoxy)benzylami...)
Show SMILES COc1ccccc1CNCC(C)C(=O)N(CC(C)C)Cc1cc(Cl)c2OCCCOc2c1
Show InChI InChI=1S/C26H35ClN2O4/c1-18(2)16-29(17-20-12-22(27)25-24(13-20)32-10-7-11-33-25)26(30)19(3)14-28-15-21-8-5-6-9-23(21)31-4/h5-6,8-9,12-13,18-19,28H,7,10-11,14-17H2,1-4H3
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1.35 -52.7n/an/an/an/an/an/a37



The Regents of the University of California

US Patent


Assay Description
An aequorin-based luminescent assay for calcium mobilization was used to measure mobilization of intracellular Ca2+ (Bullock et al., Mol Pharmacol 65...


US Patent US8722896 (2014)


BindingDB Entry DOI: 10.7270/Q29G5KGF
More data for this
Ligand-Target Pair
Prokineticin receptor 2 (PRK2)


(Cricetulus griseus (Chinese hamster))
BDBM121253
PNG
(US8722896, (-)-(2R)-2-Methyl-3-(indol-7- ylmethyla...)
Show SMILES CC(C)CN(Cc1cnc2OCCCOc2c1)C(=O)C(C)CNCc1cccc2cc[nH]c12
Show InChI InChI=1S/C26H34N4O3/c1-18(2)16-30(17-20-12-23-25(29-14-20)33-11-5-10-32-23)26(31)19(3)13-27-15-22-7-4-6-21-8-9-28-24(21)22/h4,6-9,12,14,18-19,27-28H,5,10-11,13,15-17H2,1-3H3
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1.39 -52.6n/an/an/an/an/an/a37



The Regents of the University of California

US Patent


Assay Description
An aequorin-based luminescent assay for calcium mobilization was used to measure mobilization of intracellular Ca2+ (Bullock et al., Mol Pharmacol 65...


US Patent US8722896 (2014)


BindingDB Entry DOI: 10.7270/Q29G5KGF
More data for this
Ligand-Target Pair
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