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Compile Data Set for Download or QSAR

Found 162 hits from AstraZeneca R&D   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Opioid receptors; mu/kappa/delta


(Homo sapiens (human))
BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT3 receptor of NG108-15 cells using [3H]-GR-65,630


Bioorg Med Chem Lett 13: 1141-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00033-7
BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50125449
PNG
(3-(2,4-Dichloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1...)
Show SMILES Clc1ccc(c(Cl)c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C23H22Cl2N2O/c24-18-10-11-19(21(25)15-18)20-9-6-14-27(23(20)28)22(16-26-12-4-5-13-26)17-7-2-1-3-8-17/h1-3,6-11,14-15,22H,4-5,12-13,16H2
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n/an/a 2.30n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00033-7
BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50125466
PNG
(3-(5-Fluoro-2-methoxy-phenyl)-1-[2-(3-hydroxy-pyrr...)
Show SMILES COc1ccc(F)cc1-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H25FN2O3/c1-30-23-10-9-18(25)14-21(23)20-8-5-12-27(24(20)29)22(17-6-3-2-4-7-17)16-26-13-11-19(28)15-26/h2-10,12,14,19,22,28H,11,13,15-16H2,1H3
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n/an/a 5.5n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00033-7
BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50125454
PNG
(3-(2,5-Dimethoxy-phenyl)-1-[2-(3-hydroxy-pyrrolidi...)
Show SMILES COc1ccc(OC)c(c1)-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
Show InChI InChI=1S/C25H28N2O4/c1-30-20-10-11-24(31-2)22(15-20)21-9-6-13-27(25(21)29)23(18-7-4-3-5-8-18)17-26-14-12-19(28)16-26/h3-11,13,15,19,23,28H,12,14,16-17H2,1-2H3
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n/an/a 6.90n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00033-7
BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50125451
PNG
(1-[2-(3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-3...)
Show SMILES OC1CCN(CC(c2ccccc2)n2cccc(-c3ccc(OC(F)(F)F)cc3)c2=O)C1
Show InChI InChI=1S/C24H23F3N2O3/c25-24(26,27)32-20-10-8-17(9-11-20)21-7-4-13-29(23(21)31)22(18-5-2-1-3-6-18)16-28-14-12-19(30)15-28/h1-11,13,19,22,30H,12,14-16H2
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n/an/a 7.60n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00033-7
BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50125460
PNG
(3-(4-Fluoro-3-methyl-phenyl)-1-[2-(3-hydroxy-pyrro...)
Show SMILES Cc1cc(ccc1F)-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H25FN2O2/c1-17-14-19(9-10-22(17)25)21-8-5-12-27(24(21)29)23(18-6-3-2-4-7-18)16-26-13-11-20(28)15-26/h2-10,12,14,20,23,28H,11,13,15-16H2,1H3
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n/an/a 8.40n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00033-7
BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50108448
PNG
(1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-(4-trifluor...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H23F3N2O/c25-24(26,27)20-12-10-18(11-13-20)21-9-6-16-29(23(21)30)22(17-28-14-4-5-15-28)19-7-2-1-3-8-19/h1-3,6-13,16,22H,4-5,14-15,17H2
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n/an/a 8.70n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00033-7
BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50125457
PNG
(3-(3-Hydroxymethyl-phenyl)-1-[2-(3-hydroxy-pyrroli...)
Show SMILES OCc1cccc(c1)-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H26N2O3/c27-17-18-6-4-9-20(14-18)22-10-5-12-26(24(22)29)23(19-7-2-1-3-8-19)16-25-13-11-21(28)15-25/h1-10,12,14,21,23,27-28H,11,13,15-17H2
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n/an/a 9.60n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00033-7
BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50125463
PNG
(3-(2,6-Dimethoxy-phenyl)-1-[2-(3-hydroxy-pyrrolidi...)
Show SMILES COc1cccc(OC)c1-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
Show InChI InChI=1S/C25H28N2O4/c1-30-22-11-6-12-23(31-2)24(22)20-10-7-14-27(25(20)29)21(18-8-4-3-5-9-18)17-26-15-13-19(28)16-26/h3-12,14,19,21,28H,13,15-17H2,1-2H3
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n/an/a 9.80n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00033-7
BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50125444
PNG
(2-{1-[2-(3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl...)
Show SMILES OC1CCN(CC(c2ccccc2)n2cccc(-c3ccccc3C=O)c2=O)C1
Show InChI InChI=1S/C24H24N2O3/c27-17-19-9-4-5-10-21(19)22-11-6-13-26(24(22)29)23(18-7-2-1-3-8-18)16-25-14-12-20(28)15-25/h1-11,13,17,20,23,28H,12,14-16H2
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00033-7
BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50125439
PNG
(3-(4-Acetyl-phenyl)-1-[2-(3-hydroxy-pyrrolidin-1-y...)
Show SMILES CC(=O)c1ccc(cc1)-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
Show InChI InChI=1S/C25H26N2O3/c1-18(28)19-9-11-20(12-10-19)23-8-5-14-27(25(23)30)24(21-6-3-2-4-7-21)17-26-15-13-22(29)16-26/h2-12,14,22,24,29H,13,15-17H2,1H3
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n/an/a 14n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00033-7
BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
AMP deaminase 2


(Homo sapiens (Human))
BDBM154583
PNG
(6-[4-({[(1S)-1-(isoquinolin-8-yl)ethyl]amino}methy...)
Show SMILES C[C@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12
Show InChI InChI=1S/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



AstraZeneca R&D



Assay Description
AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...


Chem Biol 21: 1486-96 (2014)


Article DOI: 10.1016/j.chembiol.2014.09.011
BindingDB Entry DOI: 10.7270/Q2M0445M
More data for this
Ligand-Target Pair
AMP deaminase 1 (rAMPD1)


(Rattus norvegicus (Rat))
BDBM154584
PNG
(4-[4-({[(1R)-1-(isoquinolin-8-yl)ethyl]amino}methy...)
Show SMILES COc1cc(ccc1C(O)=O)-c1ccc(CN[C@H](C)c2cccc3ccncc23)cc1
Show InChI InChI=1S/C26H24N2O3/c1-17(22-5-3-4-20-12-13-27-16-24(20)22)28-15-18-6-8-19(9-7-18)21-10-11-23(26(29)30)25(14-21)31-2/h3-14,16-17,28H,15H2,1-2H3,(H,29,30)/t17-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca R&D



Assay Description
AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...


Chem Biol 21: 1486-96 (2014)


Article DOI: 10.1016/j.chembiol.2014.09.011
BindingDB Entry DOI: 10.7270/Q2M0445M
More data for this
Ligand-Target Pair
AMP deaminase 1 (mAMPD1)


(Mus musculus (Mouse))
BDBM154584
PNG
(4-[4-({[(1R)-1-(isoquinolin-8-yl)ethyl]amino}methy...)
Show SMILES COc1cc(ccc1C(O)=O)-c1ccc(CN[C@H](C)c2cccc3ccncc23)cc1
Show InChI InChI=1S/C26H24N2O3/c1-17(22-5-3-4-20-12-13-27-16-24(20)22)28-15-18-6-8-19(9-7-18)21-10-11-23(26(29)30)25(14-21)31-2/h3-14,16-17,28H,15H2,1-2H3,(H,29,30)/t17-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca R&D



Assay Description
AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...


Chem Biol 21: 1486-96 (2014)


Article DOI: 10.1016/j.chembiol.2014.09.011
BindingDB Entry DOI: 10.7270/Q2M0445M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50125455
PNG
(1-[2-(3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-3...)
Show SMILES OC1CCN(CC(c2ccccc2)n2cccc(-c3cccc(OC(F)(F)F)c3)c2=O)C1
Show InChI InChI=1S/C24H23F3N2O3/c25-24(26,27)32-20-9-4-8-18(14-20)21-10-5-12-29(23(21)31)22(17-6-2-1-3-7-17)16-28-13-11-19(30)15-28/h1-10,12,14,19,22,30H,11,13,15-16H2
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n/an/a 22n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00033-7
BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
AMP deaminase 1 (mAMPD1)


(Mus musculus (Mouse))
BDBM154583
PNG
(6-[4-({[(1S)-1-(isoquinolin-8-yl)ethyl]amino}methy...)
Show SMILES C[C@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12
Show InChI InChI=1S/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



AstraZeneca R&D



Assay Description
AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...


Chem Biol 21: 1486-96 (2014)


Article DOI: 10.1016/j.chembiol.2014.09.011
BindingDB Entry DOI: 10.7270/Q2M0445M
More data for this
Ligand-Target Pair
AMP deaminase 1 (hAMPD1)


(Homo sapiens (Human))
BDBM154584
PNG
(4-[4-({[(1R)-1-(isoquinolin-8-yl)ethyl]amino}methy...)
Show SMILES COc1cc(ccc1C(O)=O)-c1ccc(CN[C@H](C)c2cccc3ccncc23)cc1
Show InChI InChI=1S/C26H24N2O3/c1-17(22-5-3-4-20-12-13-27-16-24(20)22)28-15-18-6-8-19(9-7-18)21-10-11-23(26(29)30)25(14-21)31-2/h3-14,16-17,28H,15H2,1-2H3,(H,29,30)/t17-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



AstraZeneca R&D



Assay Description
AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...


Chem Biol 21: 1486-96 (2014)


Article DOI: 10.1016/j.chembiol.2014.09.011
BindingDB Entry DOI: 10.7270/Q2M0445M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50125452
PNG
(3-(3-Amino-phenyl)-1-[2-(3-hydroxy-pyrrolidin-1-yl...)
Show SMILES Nc1cccc(c1)-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
Show InChI InChI=1S/C23H25N3O2/c24-19-9-4-8-18(14-19)21-10-5-12-26(23(21)28)22(17-6-2-1-3-7-17)16-25-13-11-20(27)15-25/h1-10,12,14,20,22,27H,11,13,15-16,24H2
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n/an/a 25n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00033-7
BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
AMP deaminase 1 (rAMPD1)


(Rattus norvegicus (Rat))
BDBM154583
PNG
(6-[4-({[(1S)-1-(isoquinolin-8-yl)ethyl]amino}methy...)
Show SMILES C[C@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12
Show InChI InChI=1S/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



AstraZeneca R&D



Assay Description
AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...


Chem Biol 21: 1486-96 (2014)


Article DOI: 10.1016/j.chembiol.2014.09.011
BindingDB Entry DOI: 10.7270/Q2M0445M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50125456
PNG
(3-(4-Fluoro-phenyl)-1-[2-(3-hydroxy-pyrrolidin-1-y...)
Show SMILES OC1CCN(CC(c2ccccc2)n2cccc(-c3ccc(F)cc3)c2=O)C1
Show InChI InChI=1S/C23H23FN2O2/c24-19-10-8-17(9-11-19)21-7-4-13-26(23(21)28)22(18-5-2-1-3-6-18)16-25-14-12-20(27)15-25/h1-11,13,20,22,27H,12,14-16H2
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n/an/a 33n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00033-7
BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
AMP deaminase 1 (hAMPD1)


(Homo sapiens (Human))
BDBM154583
PNG
(6-[4-({[(1S)-1-(isoquinolin-8-yl)ethyl]amino}methy...)
Show SMILES C[C@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12
Show InChI InChI=1S/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/m0/s1
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n/an/a 38n/an/an/an/an/an/a



AstraZeneca R&D



Assay Description
AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...


Chem Biol 21: 1486-96 (2014)


Article DOI: 10.1016/j.chembiol.2014.09.011
BindingDB Entry DOI: 10.7270/Q2M0445M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50125441
PNG
(3-(5-Acetyl-thiophen-2-yl)-1-[2-(3-hydroxy-pyrroli...)
Show SMILES CC(=O)c1ccc(s1)-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
Show InChI InChI=1S/C23H24N2O3S/c1-16(26)21-9-10-22(29-21)19-8-5-12-25(23(19)28)20(17-6-3-2-4-7-17)15-24-13-11-18(27)14-24/h2-10,12,18,20,27H,11,13-15H2,1H3
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n/an/a 38n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00033-7
BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50125459
PNG
(5-(2,4-Dichloro-phenyl)-3-(1-phenyl-2-pyrrolidin-1...)
Show SMILES Clc1ccc(c(Cl)c1)-c1cncn(C(CN2CCCC2)c2ccccc2)c1=O
Show InChI InChI=1S/C22H21Cl2N3O/c23-17-8-9-18(20(24)12-17)19-13-25-15-27(22(19)28)21(14-26-10-4-5-11-26)16-6-2-1-3-7-16/h1-3,6-9,12-13,15,21H,4-5,10-11,14H2
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n/an/a 41n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00033-7
BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50125436
PNG
(3-(5-Chloro-2-methoxy-phenyl)-1-[2-(3-hydroxy-pyrr...)
Show SMILES COc1ccc(Cl)cc1-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H25ClN2O3/c1-30-23-10-9-18(25)14-21(23)20-8-5-12-27(24(20)29)22(17-6-3-2-4-7-17)16-26-13-11-19(28)15-26/h2-10,12,14,19,22,28H,11,13,15-16H2,1H3
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n/an/a 53n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00033-7
BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50108441
PNG
(3-Phenyl-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1H-p...)
Show SMILES O=c1c(cccn1C(CN1CCCC1)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O/c26-23-21(19-10-3-1-4-11-19)14-9-17-25(23)22(18-24-15-7-8-16-24)20-12-5-2-6-13-20/h1-6,9-14,17,22H,7-8,15-16,18H2
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n/an/a 56n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00033-7
BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (human))
BDBM50108441
PNG
(3-Phenyl-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1H-p...)
Show SMILES O=c1c(cccn1C(CN1CCCC1)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O/c26-23-21(19-10-3-1-4-11-19)14-9-17-25(23)22(18-24-15-7-8-16-24)20-12-5-2-6-13-20/h1-6,9-14,17,22H,7-8,15-16,18H2
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n/an/a 56n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT3 receptor of NG108-15 cells using [3H]-GR-65,630


Bioorg Med Chem Lett 13: 1141-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00033-7
BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50125461
PNG
(6-{1-[2-Oxo-3-(4-trifluoromethyl-phenyl)-2H-pyridi...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccc3OCC(=O)Nc3c2)c1=O
Show InChI InChI=1S/C26H24F3N3O3/c27-26(28,29)19-8-5-17(6-9-19)20-4-3-13-32(25(20)34)22(15-31-11-1-2-12-31)18-7-10-23-21(14-18)30-24(33)16-35-23/h3-10,13-14,22H,1-2,11-12,15-16H2,(H,30,33)
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n/an/a 57n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00033-7
BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM154583
PNG
(6-[4-({[(1S)-1-(isoquinolin-8-yl)ethyl]amino}methy...)
Show SMILES C[C@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12
Show InChI InChI=1S/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/m0/s1
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n/an/a 75n/an/an/an/an/an/a



AstraZeneca R&D



Assay Description
AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...


Chem Biol 21: 1486-96 (2014)


Article DOI: 10.1016/j.chembiol.2014.09.011
BindingDB Entry DOI: 10.7270/Q2M0445M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50125437
PNG
(1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-(4-trifluor...)
Show SMILES FC(F)(F)c1ccc(Nc2cccn(C(CN3CCCC3)c3ccccc3)c2=O)cc1
Show InChI InChI=1S/C24H24F3N3O/c25-24(26,27)19-10-12-20(13-11-19)28-21-9-6-16-30(23(21)31)22(17-29-14-4-5-15-29)18-7-2-1-3-8-18/h1-3,6-13,16,22,28H,4-5,14-15,17H2
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n/an/a 82n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00033-7
BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50125442
PNG
(1-[2-(3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-3...)
Show SMILES COc1ccccc1-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H26N2O3/c1-29-23-12-6-5-10-20(23)21-11-7-14-26(24(21)28)22(18-8-3-2-4-9-18)17-25-15-13-19(27)16-25/h2-12,14,19,22,27H,13,15-17H2,1H3
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n/an/a 94n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00033-7
BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50125464
PNG
(1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-p-tolylamin...)
Show SMILES Cc1ccc(Nc2cccn(C(CN3CCCC3)c3ccccc3)c2=O)cc1
Show InChI InChI=1S/C24H27N3O/c1-19-11-13-21(14-12-19)25-22-10-7-17-27(24(22)28)23(18-26-15-5-6-16-26)20-8-3-2-4-9-20/h2-4,7-14,17,23,25H,5-6,15-16,18H2,1H3
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n/an/a 94n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00033-7
BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50179654
PNG
(1-(3-chlorophenyl)-3-(1-ethyl-4-oxoimidazolidin-2-...)
Show SMILES CCn1cc(O)nc1NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C12H13ClN4O2/c1-2-17-7-10(18)15-11(17)16-12(19)14-9-5-3-4-8(13)6-9/h3-7,18H,2H2,1H3,(H2,14,15,16,19)
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n/an/a 180n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5d in rat brain membrane


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50125436
PNG
(3-(5-Chloro-2-methoxy-phenyl)-1-[2-(3-hydroxy-pyrr...)
Show SMILES COc1ccc(Cl)cc1-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H25ClN2O3/c1-30-23-10-9-18(25)14-21(23)20-8-5-12-27(24(20)29)22(17-6-3-2-4-7-17)16-26-13-11-19(28)15-26/h2-10,12,14,19,22,28H,11,13,15-16H2,1H3
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n/an/a 190n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Enkephalin binding to human mu opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00033-7
BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (human))
BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Deltorphin binding to human delta opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00033-7
BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50179654
PNG
(1-(3-chlorophenyl)-3-(1-ethyl-4-oxoimidazolidin-2-...)
Show SMILES CCn1cc(O)nc1NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C12H13ClN4O2/c1-2-17-7-10(18)15-11(17)16-12(19)14-9-5-3-4-8(13)6-9/h3-7,18H,2H2,1H3,(H2,14,15,16,19)
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n/an/a 250n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50179643
PNG
(1-(3-chlorophenyl)-3-(3-methylthiazolidin-2-yliden...)
Show SMILES CN1CCSC1=NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C11H12ClN3OS/c1-15-5-6-17-11(15)14-10(16)13-9-4-2-3-8(12)7-9/h2-4,7H,5-6H2,1H3,(H,13,16)
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n/an/a 260n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
AMP deaminase 2 (rAMPD2)


(Rattus norvegicus (Rat))
BDBM154584
PNG
(4-[4-({[(1R)-1-(isoquinolin-8-yl)ethyl]amino}methy...)
Show SMILES COc1cc(ccc1C(O)=O)-c1ccc(CN[C@H](C)c2cccc3ccncc23)cc1
Show InChI InChI=1S/C26H24N2O3/c1-17(22-5-3-4-20-12-13-27-16-24(20)22)28-15-18-6-8-19(9-7-18)21-10-11-23(26(29)30)25(14-21)31-2/h3-14,16-17,28H,15H2,1-2H3,(H,29,30)/t17-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



AstraZeneca R&D



Assay Description
AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...


Chem Biol 21: 1486-96 (2014)


Article DOI: 10.1016/j.chembiol.2014.09.011
BindingDB Entry DOI: 10.7270/Q2M0445M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50179642
PNG
(1-(3-chlorophenyl)-3-(1-ethyl-5-methyl-4-oxoimidaz...)
Show SMILES CCn1c(C)c(O)nc1NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C13H15ClN4O2/c1-3-18-8(2)11(19)16-12(18)17-13(20)15-10-6-4-5-9(14)7-10/h4-7,19H,3H2,1-2H3,(H2,15,16,17,20)
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n/an/a 320n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5d in rat brain membrane


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50125448
PNG
(1-[1-(4-Methoxy-phenyl)-2-pyrrolidin-1-yl-ethyl]-3...)
Show SMILES COc1ccc(cc1)C(CN1CCCC1)n1cccc(-c2ccc(cc2)C(F)(F)F)c1=O
Show InChI InChI=1S/C25H25F3N2O2/c1-32-21-12-8-19(9-13-21)23(17-29-14-2-3-15-29)30-16-4-5-22(24(30)31)18-6-10-20(11-7-18)25(26,27)28/h4-13,16,23H,2-3,14-15,17H2,1H3
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n/an/a 320n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00033-7
BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM86716
PNG
(CAS_63540-28-3 | CHEMBL239800 | Fenobam | NSC_2162...)
Show SMILES Cn1cc(O)nc1NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-6,17H,1H3,(H2,13,14,15,18)
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n/an/a 330n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50125447
PNG
(1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-(1-p-tolyl-...)
Show SMILES CC(Nc1cccn(C(CN2CCCC2)c2ccccc2)c1=O)c1ccc(C)cc1
Show InChI InChI=1S/C26H31N3O/c1-20-12-14-22(15-13-20)21(2)27-24-11-8-18-29(26(24)30)25(19-28-16-6-7-17-28)23-9-4-3-5-10-23/h3-5,8-15,18,21,25,27H,6-7,16-17,19H2,1-2H3
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n/an/a 330n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00033-7
BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50179667
PNG
(1-(3-bromophenyl)-3-(1-methyl-4-oxoimidazolidin-2-...)
Show SMILES Cn1cc(O)nc1NC(=O)Nc1cccc(Br)c1
Show InChI InChI=1S/C11H11BrN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-6,17H,1H3,(H2,13,14,15,18)
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n/an/a 380n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
AMP deaminase 3 (rAMPD3)


(Rattus norvegicus (Rat))
BDBM154583
PNG
(6-[4-({[(1S)-1-(isoquinolin-8-yl)ethyl]amino}methy...)
Show SMILES C[C@H](NCc1ccc(cc1)-c1ccc(cn1)C(O)=O)c1cccc2ccncc12
Show InChI InChI=1S/C24H21N3O2/c1-16(21-4-2-3-18-11-12-25-15-22(18)21)26-13-17-5-7-19(8-6-17)23-10-9-20(14-27-23)24(28)29/h2-12,14-16,26H,13H2,1H3,(H,28,29)/t16-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



AstraZeneca R&D



Assay Description
AMPD1 was added to buffer A (50 mM HEPES, 150 mM KCl, 5 mM MgCl2, and 0.5 mMglutathione [pH 7.4]) to a concentration of 10 nM. A substrate mix consis...


Chem Biol 21: 1486-96 (2014)


Article DOI: 10.1016/j.chembiol.2014.09.011
BindingDB Entry DOI: 10.7270/Q2M0445M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50179642
PNG
(1-(3-chlorophenyl)-3-(1-ethyl-5-methyl-4-oxoimidaz...)
Show SMILES CCn1c(C)c(O)nc1NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C13H15ClN4O2/c1-3-18-8(2)11(19)16-12(18)17-13(20)15-10-6-4-5-9(14)7-10/h4-7,19H,3H2,1-2H3,(H2,15,16,17,20)
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n/an/a 410n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50125450
PNG
((3-{1-[2-Oxo-3-(4-trifluoromethyl-phenyl)-2H-pyrid...)
Show SMILES OC(=O)COc1cccc(c1)C(CN1CCCC1)n1cccc(-c2ccc(cc2)C(F)(F)F)c1=O
Show InChI InChI=1S/C26H25F3N2O4/c27-26(28,29)20-10-8-18(9-11-20)22-7-4-14-31(25(22)34)23(16-30-12-1-2-13-30)19-5-3-6-21(15-19)35-17-24(32)33/h3-11,14-15,23H,1-2,12-13,16-17H2,(H,32,33)
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n/an/a 420n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00033-7
BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50125466
PNG
(3-(5-Fluoro-2-methoxy-phenyl)-1-[2-(3-hydroxy-pyrr...)
Show SMILES COc1ccc(F)cc1-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
Show InChI InChI=1S/C24H25FN2O3/c1-30-23-10-9-18(25)14-21(23)20-8-5-12-27(24(20)29)22(17-6-3-2-4-7-17)16-26-13-11-19(28)15-26/h2-10,12,14,19,22,28H,11,13,15-16H2,1H3
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n/an/a 460n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Deltorphin binding to human delta opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00033-7
BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM86716
PNG
(CAS_63540-28-3 | CHEMBL239800 | Fenobam | NSC_2162...)
Show SMILES Cn1cc(O)nc1NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-6,17H,1H3,(H2,13,14,15,18)
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n/an/a 460n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5d in rat brain membrane


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50125438
PNG
(1-[2-(3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-3...)
Show SMILES OC1CCN(CC(c2ccccc2)n2cccc(-c3ccccc3)c2=O)C1
Show InChI InChI=1S/C23H24N2O2/c26-20-13-15-24(16-20)17-22(19-10-5-2-6-11-19)25-14-7-12-21(23(25)27)18-8-3-1-4-9-18/h1-12,14,20,22,26H,13,15-17H2
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n/an/a 465n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells


Bioorg Med Chem Lett 13: 1141-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00033-7
BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (human))
BDBM50125438
PNG
(1-[2-(3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-3...)
Show SMILES OC1CCN(CC(c2ccccc2)n2cccc(-c3ccccc3)c2=O)C1
Show InChI InChI=1S/C23H24N2O2/c26-20-13-15-24(16-20)17-22(19-10-5-2-6-11-19)25-14-7-12-21(23(25)27)18-8-3-1-4-9-18/h1-12,14,20,22,26H,13,15-17H2
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n/an/a 470n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Binding affinity for 5-HT3 receptor of NG108-15 cells using [3H]-GR-65,630


Bioorg Med Chem Lett 13: 1141-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00033-7
BindingDB Entry DOI: 10.7270/Q24J0DH2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50179645
PNG
(1-(3-chlorophenyl)-3-(1,5-dimethyl-4-oxoimidazolid...)
Show SMILES Cc1c(O)nc(NC(=O)Nc2cccc(Cl)c2)n1C
Show InChI InChI=1S/C12H13ClN4O2/c1-7-10(18)15-11(17(7)2)16-12(19)14-9-5-3-4-8(13)6-9/h3-6,18H,1-2H3,(H2,14,15,16,19)
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n/an/a 490n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
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