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Compile Data Set for Download or QSAR

Found 1736 hits with Last Name = 'pan' and Initial = 'f'   
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
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50186588
PNG
(8-cyclopentyl-2,6-diphenyl-9H-purine | CHEMBL20782...)
Show SMILES C1CCC(C1)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
Show InChI InChI=1S/C22H20N4/c1-3-9-15(10-4-1)18-19-22(26-21(24-19)17-13-7-8-14-17)25-20(23-18)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2,(H,23,24,25,26)
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0.290n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 49: 2861-7 (2006)


Article DOI: 10.1021/jm050640i
BindingDB Entry DOI: 10.7270/Q2348JZ4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50534063
PNG
(CHEMBL4575464)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)NCC(c1ccccc1)c1ccccc1)[C@H]2C |r,THB:35:34:13.12.14:3.9.2|
Show InChI InChI=1S/C31H36N2O2/c1-22-29-19-25-13-14-26(34)20-28(25)31(22,2)16-18-33(29)17-15-30(35)32-21-27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-14,20,22,27,29,34H,15-19,21H2,1-2H3,(H,32,35)/t22-,29+,31+/m0/s1
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0.5n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in HEK293 cells


Bioorg Med Chem 24: 5280-5290 (2016)


Article DOI: 10.1016/j.bmc.2016.08.057
BindingDB Entry DOI: 10.7270/Q2SB497K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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0.600n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in HEK293 cells


Bioorg Med Chem 24: 5280-5290 (2016)


Article DOI: 10.1016/j.bmc.2016.08.057
BindingDB Entry DOI: 10.7270/Q2SB497K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from rat KOR expressed in CHO cells


Bioorg Med Chem 24: 5280-5290 (2016)


Article DOI: 10.1016/j.bmc.2016.08.057
BindingDB Entry DOI: 10.7270/Q2SB497K
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Homo sapiens (Human))
BDBM50370560
PNG
(CHEMBL610234)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1c(NC2CCCC2)nc2c(SCc3ccccc3)ncnc12 |r|
Show InChI InChI=1S/C22H27N5O4S/c28-10-15-17(29)18(30)21(31-15)27-19-16(26-22(27)25-14-8-4-5-9-14)20(24-12-23-19)32-11-13-6-2-1-3-7-13/h1-3,6-7,12,14-15,17-18,21,28-30H,4-5,8-11H2,(H,25,26)/t15-,17-,18-,21?/m1/s1
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0.640n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]NBTI binding to equilibrative nucleoside transport protein 1 (ENT1) in human erythrocyte membranes


J Med Chem 48: 321-9 (2005)


Article DOI: 10.1021/jm049303k
BindingDB Entry DOI: 10.7270/Q29024J0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50186599
PNG
(8-cyclohexyl-2,6-diphenyl-9H-purine | CHEMBL207529...)
Show SMILES C1CCC(CC1)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
Show InChI InChI=1S/C23H22N4/c1-4-10-16(11-5-1)19-20-23(26-21(24-19)17-12-6-2-7-13-17)27-22(25-20)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H,24,25,26,27)
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0.730n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 49: 2861-7 (2006)


Article DOI: 10.1021/jm050640i
BindingDB Entry DOI: 10.7270/Q2348JZ4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50186590
PNG
(8-isopropyl-2,6-diphenyl-9H-purine | CHEMBL204780 ...)
Show SMILES CC(C)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
Show InChI InChI=1S/C20H18N4/c1-13(2)18-22-17-16(14-9-5-3-6-10-14)21-19(24-20(17)23-18)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,21,22,23,24)
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0.820n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 49: 2861-7 (2006)


Article DOI: 10.1021/jm050640i
BindingDB Entry DOI: 10.7270/Q2348JZ4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50142692
PNG
(CHEMBL3759092)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1ccccc1)[C@H]2C |r,THB:8:9:26:12.14.13,15:14:26:3.9.2|
Show InChI InChI=1S/C23H28N2O2/c1-16-21-14-17-8-9-19(26)15-20(17)23(16,2)11-13-25(21)12-10-22(27)24-18-6-4-3-5-7-18/h3-9,15-16,21,26H,10-14H2,1-2H3,(H,24,27)/t16-,21+,23+/m0/s1
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0.830n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in HEK293 cells


Bioorg Med Chem 24: 5280-5290 (2016)


Article DOI: 10.1016/j.bmc.2016.08.057
BindingDB Entry DOI: 10.7270/Q2SB497K
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50448144
PNG
(CHEMBL3122212)
Show SMILES Cc1ccncc1-c1nn(C)c2nc(OCc3ccccn3)cnc12
Show InChI InChI=1S/C18H16N6O/c1-12-6-8-19-9-14(12)16-17-18(24(2)23-16)22-15(10-21-17)25-11-13-5-3-4-7-20-13/h3-10H,11H2,1-2H3
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0.900n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 861-77 (2014)


Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Homo sapiens (Human))
BDBM50370567
PNG
(CHEMBL608795)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1c(NC2CCCCC2)nc2c(SCc3ccccc3)ncnc12 |r|
Show InChI InChI=1S/C23H29N5O4S/c29-11-16-18(30)19(31)22(32-16)28-20-17(27-23(28)26-15-9-5-2-6-10-15)21(25-13-24-20)33-12-14-7-3-1-4-8-14/h1,3-4,7-8,13,15-16,18-19,22,29-31H,2,5-6,9-12H2,(H,26,27)/t16-,18-,19-,22?/m1/s1
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0.940n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]NBTI binding to equilibrative nucleoside transport protein 1 (ENT1) in human erythrocyte membranes


J Med Chem 48: 321-9 (2005)


Article DOI: 10.1021/jm049303k
BindingDB Entry DOI: 10.7270/Q29024J0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50240887
PNG
(CHEMBL4066731)
Show SMILES Clc1cccc(COc2cc(=O)n3[C@H](Cc4ccccc4)COCc3n2)c1 |r|
Show InChI InChI=1S/C21H19ClN2O3/c22-17-8-4-7-16(9-17)12-27-20-11-21(25)24-18(13-26-14-19(24)23-20)10-15-5-2-1-3-6-15/h1-9,11,18H,10,12-14H2/t18-/m1/s1
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1n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting


J Med Chem 60: 7764-7780 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00604
BindingDB Entry DOI: 10.7270/Q2DJ5HS8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50448157
PNG
(CHEMBL3122215)
Show SMILES Cc1c(Cl)cncc1-c1nn(C)c2nc(OCc3ccccn3)cnc12
Show InChI InChI=1S/C18H15ClN6O/c1-11-13(7-20-8-14(11)19)16-17-18(25(2)24-16)23-15(9-22-17)26-10-12-5-3-4-6-21-12/h3-9H,10H2,1-2H3
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1.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 861-77 (2014)


Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50240900
PNG
(CHEMBL4091620)
Show SMILES CC(C)C[C@@H]1COCc2nc(OCc3cccc(c3)C#N)cc(=O)n12 |r|
Show InChI InChI=1S/C19H21N3O3/c1-13(2)6-16-11-24-12-17-21-18(8-19(23)22(16)17)25-10-15-5-3-4-14(7-15)9-20/h3-5,7-8,13,16H,6,10-12H2,1-2H3/t16-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting


J Med Chem 60: 7764-7780 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00604
BindingDB Entry DOI: 10.7270/Q2DJ5HS8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21008
PNG
((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...)
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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1.70n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cells


Bioorg Med Chem 24: 5280-5290 (2016)


Article DOI: 10.1016/j.bmc.2016.08.057
BindingDB Entry DOI: 10.7270/Q2SB497K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50150075
PNG
(2-Amino-6-(1H-imidazol-2-ylmethylsulfanyl)-4-(3-me...)
Show SMILES COc1cccc(c1)-c1c(C#N)c(N)nc(SCc2ncc[nH]2)c1C#N
Show InChI InChI=1S/C18H14N6OS/c1-25-12-4-2-3-11(7-12)16-13(8-19)17(21)24-18(14(16)9-20)26-10-15-22-5-6-23-15/h2-7H,10H2,1H3,(H2,21,24)(H,22,23)
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2n/an/an/an/an/an/an/an/a



University of Leiden

Curated by ChEMBL


Assay Description
Binding affinity against human adenosine A1 receptor expressed in CHO cells using [3H]DPCPX


J Med Chem 47: 3707-9 (2004)


Article DOI: 10.1021/jm049947s
BindingDB Entry DOI: 10.7270/Q2833SS3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50157657
PNG
(CHEMBL375631 | cyclopentanecarboxylic acid (2,6-di...)
Show SMILES O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1)C1CCCC1
Show InChI InChI=1S/C22H21N3O/c26-22(18-13-7-8-14-18)25-20-15-19(16-9-3-1-4-10-16)23-21(24-20)17-11-5-2-6-12-17/h1-6,9-12,15,18H,7-8,13-14H2,(H,23,24,25,26)
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2.10n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 47: 6529-40 (2004)


Article DOI: 10.1021/jm049448r
BindingDB Entry DOI: 10.7270/Q2DN44J7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50157656
PNG
(CHEMBL223977 | LUF-5767 | N-(2,6-diphenylpyrimidin...)
Show SMILES CCC(C)C(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H21N3O/c1-3-15(2)21(25)24-19-14-18(16-10-6-4-7-11-16)22-20(23-19)17-12-8-5-9-13-17/h4-15H,3H2,1-2H3,(H,22,23,24,25)
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2.20n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 47: 6529-40 (2004)


Article DOI: 10.1021/jm049448r
BindingDB Entry DOI: 10.7270/Q2DN44J7
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Homo sapiens (Human))
BDBM50370565
PNG
(CHEMBL610047)
Show SMILES CCCCCNc1nc2c(SCc3ccccc3)ncnc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H29N5O4S/c1-2-3-7-10-23-22-26-16-19(27(22)21-18(30)17(29)15(11-28)31-21)24-13-25-20(16)32-12-14-8-5-4-6-9-14/h4-6,8-9,13,15,17-18,21,28-30H,2-3,7,10-12H2,1H3,(H,23,26)/t15-,17-,18-,21?/m1/s1
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2.30n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]NBTI binding to equilibrative nucleoside transport protein 1 (ENT1) in human erythrocyte membranes


J Med Chem 48: 321-9 (2005)


Article DOI: 10.1021/jm049303k
BindingDB Entry DOI: 10.7270/Q29024J0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50448161
PNG
(CHEMBL3122210)
Show SMILES Cn1nc(-c2cccnc2)c2ncc(OCc3ccccn3)nc12
Show InChI InChI=1S/C17H14N6O/c1-23-17-16(15(22-23)12-5-4-7-18-9-12)20-10-14(21-17)24-11-13-6-2-3-8-19-13/h2-10H,11H2,1H3
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2.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 861-77 (2014)


Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50150077
PNG
(2-((1H-imidazol-2-yl)methylthio)-6-amino-4-phenylp...)
Show SMILES Nc1nc(SCc2ncc[nH]2)c(C#N)c(-c2ccccc2)c1C#N
Show InChI InChI=1S/C17H12N6S/c18-8-12-15(11-4-2-1-3-5-11)13(9-19)17(23-16(12)20)24-10-14-21-6-7-22-14/h1-7H,10H2,(H2,20,23)(H,21,22)
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2.40n/an/an/an/an/an/an/an/a



University of Leiden

Curated by ChEMBL


Assay Description
Binding affinity against human adenosine A1 receptor expressed in CHO cells using [3H]DPCPX


J Med Chem 47: 3707-9 (2004)


Article DOI: 10.1021/jm049947s
BindingDB Entry DOI: 10.7270/Q2833SS3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50150074
PNG
(2-Amino-4-(4-hydroxy-phenyl)-6-(1H-imidazol-2-ylme...)
Show SMILES Nc1nc(SCc2ncc[nH]2)c(C#N)c(-c2ccc(O)cc2)c1C#N
Show InChI InChI=1S/C17H12N6OS/c18-7-12-15(10-1-3-11(24)4-2-10)13(8-19)17(23-16(12)20)25-9-14-21-5-6-22-14/h1-6,24H,9H2,(H2,20,23)(H,21,22)
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2.60n/an/an/an/an/an/an/an/a



University of Leiden

Curated by ChEMBL


Assay Description
Binding affinity against human adenosine A1 receptor expressed in CHO cells using [3H]DPCPX


J Med Chem 47: 3707-9 (2004)


Article DOI: 10.1021/jm049947s
BindingDB Entry DOI: 10.7270/Q2833SS3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50448159
PNG
(CHEMBL3122213)
Show SMILES Cn1nc(-c2cnccc2C(F)(F)F)c2ncc(OCc3ccccn3)nc12
Show InChI InChI=1S/C18H13F3N6O/c1-27-17-16(15(26-27)12-8-22-7-5-13(12)18(19,20)21)24-9-14(25-17)28-10-11-4-2-3-6-23-11/h2-9H,10H2,1H3
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2.80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 861-77 (2014)


Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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3n/an/an/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 expressed in CHO cells after 90 mins by TopCount scintillation counting method


Eur J Med Chem 146: 68-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.034
BindingDB Entry DOI: 10.7270/Q2N58PXN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50240888
PNG
(CHEMBL4094256)
Show SMILES Clc1cccc(COc2cc(=O)n3[C@@H](Cc4ccccc4)COCc3n2)c1 |r|
Show InChI InChI=1S/C21H19ClN2O3/c22-17-8-4-7-16(9-17)12-27-20-11-21(25)24-18(13-26-14-19(24)23-20)10-15-5-2-1-3-6-15/h1-9,11,18H,10,12-14H2/t18-/m0/s1
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3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting


J Med Chem 60: 7764-7780 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00604
BindingDB Entry DOI: 10.7270/Q2DJ5HS8
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Homo sapiens (Human))
BDBM50370557
PNG
(CHEMBL607955)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1c(NC2CC2)nc2c(SCc3ccccc3)ncnc12 |r|
Show InChI InChI=1S/C20H23N5O4S/c26-8-13-15(27)16(28)19(29-13)25-17-14(24-20(25)23-12-6-7-12)18(22-10-21-17)30-9-11-4-2-1-3-5-11/h1-5,10,12-13,15-16,19,26-28H,6-9H2,(H,23,24)/t13-,15-,16-,19?/m1/s1
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3n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]NBTI binding to equilibrative nucleoside transport protein 1 (ENT1) in human erythrocyte membranes


J Med Chem 48: 321-9 (2005)


Article DOI: 10.1021/jm049303k
BindingDB Entry DOI: 10.7270/Q29024J0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50240881
PNG
(CHEMBL4090712)
Show SMILES CC(C)(C)C[C@@H]1COCc2nc(OCc3cccc(c3)C#N)cc(=O)n12 |r|
Show InChI InChI=1S/C20H23N3O3/c1-20(2,3)9-16-12-25-13-17-22-18(8-19(24)23(16)17)26-11-15-6-4-5-14(7-15)10-21/h4-8,16H,9,11-13H2,1-3H3/t16-/m1/s1
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3.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting


J Med Chem 60: 7764-7780 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00604
BindingDB Entry DOI: 10.7270/Q2DJ5HS8
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Homo sapiens (Human))
BDBM50370568
PNG
(CHEMBL610236)
Show SMILES CCC(C)CNc1nc2c(SCc3ccccc3)ncnc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H29N5O4S/c1-3-13(2)9-23-22-26-16-19(27(22)21-18(30)17(29)15(10-28)31-21)24-12-25-20(16)32-11-14-7-5-4-6-8-14/h4-8,12-13,15,17-18,21,28-30H,3,9-11H2,1-2H3,(H,23,26)/t13?,15-,17-,18-,21?/m1/s1
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3.60n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]NBTI binding to equilibrative nucleoside transport protein 1 (ENT1) in human erythrocyte membranes


J Med Chem 48: 321-9 (2005)


Article DOI: 10.1021/jm049303k
BindingDB Entry DOI: 10.7270/Q29024J0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50186589
PNG
(8-cyclohexyl-6-(4-methoxyphenyl)-2-phenyl-9H-purin...)
Show SMILES COc1ccc(cc1)-c1nc(nc2nc([nH]c12)C1CCCCC1)-c1ccccc1
Show InChI InChI=1S/C24H24N4O/c1-29-19-14-12-16(13-15-19)20-21-24(27-22(25-20)17-8-4-2-5-9-17)28-23(26-21)18-10-6-3-7-11-18/h2,4-5,8-9,12-15,18H,3,6-7,10-11H2,1H3,(H,25,26,27,28)
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3.70n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 49: 2861-7 (2006)


Article DOI: 10.1021/jm050640i
BindingDB Entry DOI: 10.7270/Q2348JZ4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50157673
PNG
(CHEMBL222719 | LUF-5735 | N-(4,6-diphenylpyrimidin...)
Show SMILES CCCC(=O)Nc1nc(cc(n1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H19N3O/c1-2-9-19(24)23-20-21-17(15-10-5-3-6-11-15)14-18(22-20)16-12-7-4-8-13-16/h3-8,10-14H,2,9H2,1H3,(H,21,22,23,24)
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3.70n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 47: 6529-40 (2004)


Article DOI: 10.1021/jm049448r
BindingDB Entry DOI: 10.7270/Q2DN44J7
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Homo sapiens (Human))
BDBM50370562
PNG
(CHEMBL610235)
Show SMILES CCCCCCNc1nc2c(SCc3ccccc3)ncnc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C23H31N5O4S/c1-2-3-4-8-11-24-23-27-17-20(28(23)22-19(31)18(30)16(12-29)32-22)25-14-26-21(17)33-13-15-9-6-5-7-10-15/h5-7,9-10,14,16,18-19,22,29-31H,2-4,8,11-13H2,1H3,(H,24,27)/t16-,18-,19-,22?/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]NBTI binding to equilibrative nucleoside transport protein 1 (ENT1) in human erythrocyte membranes


J Med Chem 48: 321-9 (2005)


Article DOI: 10.1021/jm049303k
BindingDB Entry DOI: 10.7270/Q29024J0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50240885
PNG
(CHEMBL4064010)
Show SMILES O=c1cc(OCc2cccc(c2)C#N)nc2COC[C@@H](Cc3ccccc3)n12 |r|
Show InChI InChI=1S/C22H19N3O3/c23-12-17-7-4-8-18(9-17)13-28-21-11-22(26)25-19(14-27-15-20(25)24-21)10-16-5-2-1-3-6-16/h1-9,11,19H,10,13-15H2/t19-/m1/s1
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3.80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting


J Med Chem 60: 7764-7780 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00604
BindingDB Entry DOI: 10.7270/Q2DJ5HS8
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50186591
PNG
(2-(4-methoxyphenyl)-6-phenyl-9H-purine | CHEMBL207...)
Show SMILES COc1ccc(cc1)-c1nc(-c2ccccc2)c2[nH]cnc2n1
Show InChI InChI=1S/C18H14N4O/c1-23-14-9-7-13(8-10-14)17-21-15(12-5-3-2-4-6-12)16-18(22-17)20-11-19-16/h2-11H,1H3,(H,19,20,21,22)
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4n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK293 cells


J Med Chem 49: 2861-7 (2006)


Article DOI: 10.1021/jm050640i
BindingDB Entry DOI: 10.7270/Q2348JZ4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50186597
PNG
(2-tolyl-6-phenyl-9H-purine | CHEMBL205194)
Show SMILES Cc1ccc(cc1)-c1nc(-c2ccccc2)c2[nH]cnc2n1
Show InChI InChI=1S/C18H14N4/c1-12-7-9-14(10-8-12)17-21-15(13-5-3-2-4-6-13)16-18(22-17)20-11-19-16/h2-11H,1H3,(H,19,20,21,22)
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4n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 49: 2861-7 (2006)


Article DOI: 10.1021/jm050640i
BindingDB Entry DOI: 10.7270/Q2348JZ4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50240890
PNG
(CHEMBL4078647)
Show SMILES Clc1cccc(COc2cc(=O)n3cc(Oc4cccnc4)ccc3n2)c1
Show InChI InChI=1S/C20H14ClN3O3/c21-15-4-1-3-14(9-15)13-26-19-10-20(25)24-12-17(6-7-18(24)23-19)27-16-5-2-8-22-11-16/h1-12H,13H2
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4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting


J Med Chem 60: 7764-7780 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00604
BindingDB Entry DOI: 10.7270/Q2DJ5HS8
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50186594
PNG
(2,6-diphenyl-9H-purine | CHEMBL381729)
Show SMILES c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
Show InChI InChI=1S/C17H12N4/c1-3-7-12(8-4-1)14-15-17(19-11-18-15)21-16(20-14)13-9-5-2-6-10-13/h1-11H,(H,18,19,20,21)
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4.10n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 49: 2861-7 (2006)


Article DOI: 10.1021/jm050640i
BindingDB Entry DOI: 10.7270/Q2348JZ4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50163448
PNG
(2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-(3-methoxy-p...)
Show SMILES COc1cccc(c1)-c1c(C#N)c(N)nc(SCCO)c1C#N
Show InChI InChI=1S/C16H14N4O2S/c1-22-11-4-2-3-10(7-11)14-12(8-17)15(19)20-16(13(14)9-18)23-6-5-21/h2-4,7,21H,5-6H2,1H3,(H2,19,20)
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4.30n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by PDSP Ki Database


Assay Description
Displacement of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 2045-53 (2005)


Article DOI: 10.1021/jm049597+
BindingDB Entry DOI: 10.7270/Q28P6188
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50150078
PNG
(2-Amino-4-(3-hydroxy-phenyl)-6-(1H-imidazol-2-ylme...)
Show SMILES Nc1nc(SCc2ncc[nH]2)c(C#N)c(-c2cccc(O)c2)c1C#N
Show InChI InChI=1S/C17H12N6OS/c18-7-12-15(10-2-1-3-11(24)6-10)13(8-19)17(23-16(12)20)25-9-14-21-4-5-22-14/h1-6,24H,9H2,(H2,20,23)(H,21,22)
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4.40n/an/an/an/an/an/an/an/a



University of Leiden

Curated by ChEMBL


Assay Description
Binding affinity against human adenosine A1 receptor expressed in CHO cells using [3H]DPCPX


J Med Chem 47: 3707-9 (2004)


Article DOI: 10.1021/jm049947s
BindingDB Entry DOI: 10.7270/Q2833SS3
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50186587
PNG
(8-propyl-2,6-diphenyl-9H-purine | CHEMBL424869)
Show SMILES CCCc1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
Show InChI InChI=1S/C20H18N4/c1-2-9-16-21-18-17(14-10-5-3-6-11-14)23-19(24-20(18)22-16)15-12-7-4-8-13-15/h3-8,10-13H,2,9H2,1H3,(H,21,22,23,24)
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4.40n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 49: 2861-7 (2006)


Article DOI: 10.1021/jm050640i
BindingDB Entry DOI: 10.7270/Q2348JZ4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50448149
PNG
(CHEMBL3122224)
Show SMILES CCN(CC)C(=O)c1nn(C)c2nc(OCc3ccccn3)ccc12
Show InChI InChI=1S/C18H21N5O2/c1-4-23(5-2)18(24)16-14-9-10-15(20-17(14)22(3)21-16)25-12-13-8-6-7-11-19-13/h6-11H,4-5,12H2,1-3H3
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4.90n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 861-77 (2014)


Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50448163
PNG
(CHEMBL3122208)
Show SMILES Cn1nc(-c2ccccn2)c2ccc(OCc3ccccn3)nc12
Show InChI InChI=1S/C18H15N5O/c1-23-18-14(17(22-23)15-7-3-5-11-20-15)8-9-16(21-18)24-12-13-6-2-4-10-19-13/h2-11H,12H2,1H3
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5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 861-77 (2014)


Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Homo sapiens (Human))
BDBM50370563
PNG
(CHEMBL609378)
Show SMILES CCCNc1nc2c(SCc3ccccc3)ncnc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C20H25N5O4S/c1-2-8-21-20-24-14-17(25(20)19-16(28)15(27)13(9-26)29-19)22-11-23-18(14)30-10-12-6-4-3-5-7-12/h3-7,11,13,15-16,19,26-28H,2,8-10H2,1H3,(H,21,24)/t13-,15-,16-,19?/m1/s1
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5.30n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]NBTI binding to equilibrative nucleoside transport protein 1 (ENT1) in human erythrocyte membranes


J Med Chem 48: 321-9 (2005)


Article DOI: 10.1021/jm049303k
BindingDB Entry DOI: 10.7270/Q29024J0
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Homo sapiens (Human))
BDBM50370566
PNG
(CHEMBL608794)
Show SMILES CCCCNc1nc2c(SCc3ccccc3)ncnc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C21H27N5O4S/c1-2-3-9-22-21-25-15-18(26(21)20-17(29)16(28)14(10-27)30-20)23-12-24-19(15)31-11-13-7-5-4-6-8-13/h4-8,12,14,16-17,20,27-29H,2-3,9-11H2,1H3,(H,22,25)/t14-,16-,17-,20?/m1/s1
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5.40n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]NBTI binding to equilibrative nucleoside transport protein 1 (ENT1) in human erythrocyte membranes


J Med Chem 48: 321-9 (2005)


Article DOI: 10.1021/jm049303k
BindingDB Entry DOI: 10.7270/Q29024J0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50240884
PNG
(CHEMBL4085572)
Show SMILES Cc1csc(COc2cc(=O)n3[C@H](Cc4ccccc4)COCc3n2)n1 |r|
Show InChI InChI=1S/C19H19N3O3S/c1-13-12-26-18(20-13)11-25-17-8-19(23)22-15(9-24-10-16(22)21-17)7-14-5-3-2-4-6-14/h2-6,8,12,15H,7,9-11H2,1H3/t15-/m1/s1
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5.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting


J Med Chem 60: 7764-7780 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00604
BindingDB Entry DOI: 10.7270/Q2DJ5HS8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM242438
PNG
(US9422235, 12)
Show SMILES COc1cc(Nc2ccc(cc2)S(=O)(=O)NCC2CC2)cc(OC)c1
Show InChI InChI=1S/C18H22N2O4S/c1-23-16-9-15(10-17(11-16)24-2)20-14-5-7-18(8-6-14)25(21,22)19-12-13-3-4-13/h5-11,13,19-20H,3-4,12H2,1-2H3
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US Patent
6 -47.7 11n/an/an/an/an/a30



Pharmos Corporation

US Patent


Assay Description
The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...


US Patent US9422235 (2016)


BindingDB Entry DOI: 10.7270/Q2833QX2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50534068
PNG
(CHEMBL4466859)
Show SMILES COc1ccsc1CNCC[C@]1(CCC2(CCCC2)OC1)c1ccccn1 |r|
Show InChI InChI=1S/C22H30N2O2S/c1-25-18-7-15-27-19(18)16-23-14-12-21(20-6-2-5-13-24-20)10-11-22(26-17-21)8-3-4-9-22/h2,5-7,13,15,23H,3-4,8-12,14,16-17H2,1H3/t21-/m0/s1
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6n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]Diprenorphine from human MOR expressed in HEK293 cell membranes by liquid scintillation counting


Bioorg Med Chem 24: 5280-5290 (2016)


Article DOI: 10.1016/j.bmc.2016.08.057
BindingDB Entry DOI: 10.7270/Q2SB497K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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6.10n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by PDSP Ki Database


Assay Description
Displacement of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cells


J Med Chem 48: 2045-53 (2005)


Article DOI: 10.1021/jm049597+
BindingDB Entry DOI: 10.7270/Q28P6188
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50240882
PNG
(CHEMBL4063837)
Show SMILES CC(C)(C)C[C@@H]1COCc2nc(OCc3ccccn3)cc(=O)n12 |r|
Show InChI InChI=1S/C18H23N3O3/c1-18(2,3)9-14-11-23-12-15-20-16(8-17(22)21(14)15)24-10-13-6-4-5-7-19-13/h4-8,14H,9-12H2,1-3H3/t14-/m1/s1
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6.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting


J Med Chem 60: 7764-7780 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00604
BindingDB Entry DOI: 10.7270/Q2DJ5HS8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50448162
PNG
(CHEMBL3122209)
Show SMILES Cn1nc(-c2cccnc2)c2ccc(OCc3ccccn3)nc12
Show InChI InChI=1S/C18H15N5O/c1-23-18-15(17(22-23)13-5-4-9-19-11-13)7-8-16(21-18)24-12-14-6-2-3-10-20-14/h2-11H,12H2,1H3
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6.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 861-77 (2014)


Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50157671
PNG
(CHEMBL390535 | N-(2,6-diphenylpyrimidin-4-yl)-2-et...)
Show SMILES CCC(CC)C(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H23N3O/c1-3-16(4-2)22(26)25-20-15-19(17-11-7-5-8-12-17)23-21(24-20)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3,(H,23,24,25,26)
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6.40n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 47: 6529-40 (2004)


Article DOI: 10.1021/jm049448r
BindingDB Entry DOI: 10.7270/Q2DN44J7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50157666
PNG
(CHEMBL223978 | cyclobutanecarboxylic acid (2,6-dip...)
Show SMILES O=C(Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1)C1CCC1
Show InChI InChI=1S/C21H19N3O/c25-21(17-12-7-13-17)24-19-14-18(15-8-3-1-4-9-15)22-20(23-19)16-10-5-2-6-11-16/h1-6,8-11,14,17H,7,12-13H2,(H,22,23,24,25)
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6.5n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 47: 6529-40 (2004)


Article DOI: 10.1021/jm049448r
BindingDB Entry DOI: 10.7270/Q2DN44J7
More data for this
Ligand-Target Pair
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