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Compile Data Set for Download or QSAR

Found 105 hits with Last Name = 'zhang' and Initial = 'mr'   
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
Benzodiazepine receptors; peripheral & central


(Rattus norvegicus (rat))
BDBM50122293
PNG
(CHEMBL401000 | CHEMBL63064 | N-(2,5-Dimethoxy-benz...)
Show SMILES COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1
Show InChI InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3
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0.0430n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity for PBR (peripheral benzodiazepine receptor) in rat brain


Bioorg Med Chem Lett 13: 201-4 (2002)


BindingDB Entry DOI: 10.7270/Q2PZ585X
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50185958
PNG
(CHEMBL205971 | N-(2-methoxybenzyl)-N-(4-chloro-2-p...)
Show SMILES COc1ccccc1CN(C(C)=O)c1ccc(Cl)cc1Oc1ccccc1
Show InChI InChI=1S/C22H20ClNO3/c1-16(25)24(15-17-8-6-7-11-21(17)26-2)20-13-12-18(23)14-22(20)27-19-9-4-3-5-10-19/h3-14H,15H2,1-2H3
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0.0700n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [11C](R)-PK1119 from Sprague-Dawley rat brain PBR


J Med Chem 49: 2735-42 (2006)


Article DOI: 10.1021/jm060006k
BindingDB Entry DOI: 10.7270/Q20K29CW
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50122294
PNG
(CHEMBL292092 | N-(5-fluoro-2-phenoxyphenyl)-N-(2-(...)
Show SMILES COc1ccc(OCCF)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1
Show InChI InChI=1S/C24H23F2NO4/c1-17(28)27(16-18-14-21(29-2)9-11-23(18)30-13-12-25)22-15-19(26)8-10-24(22)31-20-6-4-3-5-7-20/h3-11,14-15H,12-13,16H2,1-2H3
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0.0780n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
In vitro inhibition of [11C]2 binding to Peripheral benzodiazepine receptor (PBR) in rat brain


J Med Chem 47: 2228-35 (2004)


Article DOI: 10.1021/jm0304919
BindingDB Entry DOI: 10.7270/Q20G3KXQ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50122294
PNG
(CHEMBL292092 | N-(5-fluoro-2-phenoxyphenyl)-N-(2-(...)
Show SMILES COc1ccc(OCCF)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1
Show InChI InChI=1S/C24H23F2NO4/c1-17(28)27(16-18-14-21(29-2)9-11-23(18)30-13-12-25)22-15-19(26)8-10-24(22)31-20-6-4-3-5-7-20/h3-11,14-15H,12-13,16H2,1-2H3
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0.0800n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [11C]DAA1106 from PBR receptor in rat brain membrane


Bioorg Med Chem Lett 19: 1707-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.093
BindingDB Entry DOI: 10.7270/Q2C82B6C
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50185959
PNG
(CHEMBL381602 | N-(2-ethoxybenzyl)-N-(4-chloro-2-ph...)
Show SMILES CCOc1ccccc1CN(C(C)=O)c1ccc(Cl)cc1Oc1ccccc1
Show InChI InChI=1S/C23H22ClNO3/c1-3-27-22-12-8-7-9-18(22)16-25(17(2)26)21-14-13-19(24)15-23(21)28-20-10-5-4-6-11-20/h4-15H,3,16H2,1-2H3
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0.100n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [11C](R)-PK1119 from Sprague-Dawley rat brain PBR


J Med Chem 49: 2735-42 (2006)


Article DOI: 10.1021/jm060006k
BindingDB Entry DOI: 10.7270/Q20K29CW
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50122293
PNG
(CHEMBL401000 | CHEMBL63064 | N-(2,5-Dimethoxy-benz...)
Show SMILES COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1
Show InChI InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3
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0.100n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [11C](R)-PK1119 from Sprague-Dawley rat brain PBR


J Med Chem 49: 2735-42 (2006)


Article DOI: 10.1021/jm060006k
BindingDB Entry DOI: 10.7270/Q20K29CW
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50122293
PNG
(CHEMBL401000 | CHEMBL63064 | N-(2,5-Dimethoxy-benz...)
Show SMILES COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1
Show InChI InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3
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0.160n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
In vitro inhibition of [11C]2 binding to Peripheral benzodiazepine receptor (PBR) in rat brain


J Med Chem 47: 2228-35 (2004)


Article DOI: 10.1021/jm0304919
BindingDB Entry DOI: 10.7270/Q20G3KXQ
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50122293
PNG
(CHEMBL401000 | CHEMBL63064 | N-(2,5-Dimethoxy-benz...)
Show SMILES COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1
Show InChI InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3
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0.160n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [11C]DAA1106 from Sprague-Dawley rat brain PBR


J Med Chem 49: 2735-42 (2006)


Article DOI: 10.1021/jm060006k
BindingDB Entry DOI: 10.7270/Q20K29CW
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50122295
PNG
(CHEMBL63065 | N-(2-Fluoromethoxy-5-methoxy-benzyl)...)
Show SMILES COc1ccc(OCF)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1
Show InChI InChI=1S/C23H21F2NO4/c1-16(27)26(14-17-12-20(28-2)9-11-22(17)29-15-24)21-13-18(25)8-10-23(21)30-19-6-4-3-5-7-19/h3-13H,14-15H2,1-2H3
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0.170n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
In vitro inhibition of [11C]2 binding to Peripheral benzodiazepine receptor (PBR) in rat brain


J Med Chem 47: 2228-35 (2004)


Article DOI: 10.1021/jm0304919
BindingDB Entry DOI: 10.7270/Q20G3KXQ
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50122293
PNG
(CHEMBL401000 | CHEMBL63064 | N-(2,5-Dimethoxy-benz...)
Show SMILES COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1
Show InChI InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3
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0.188n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity for PBR (peripheral benzodiazepine receptor) in monkey brain


Bioorg Med Chem Lett 13: 201-4 (2002)


BindingDB Entry DOI: 10.7270/Q2PZ585X
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50185957
PNG
(CHEMBL205767 | N-(2-isopropoxybenzyl)-N-(4-chloro-...)
Show SMILES CC(C)Oc1ccccc1CN(C(C)=O)c1ccc(Cl)cc1Oc1ccccc1
Show InChI InChI=1S/C24H24ClNO3/c1-17(2)28-23-12-8-7-9-19(23)16-26(18(3)27)22-14-13-20(25)15-24(22)29-21-10-5-4-6-11-21/h4-15,17H,16H2,1-3H3
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0.190n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [11C](R)-PK1119 from Sprague-Dawley rat brain PBR


J Med Chem 49: 2735-42 (2006)


Article DOI: 10.1021/jm060006k
BindingDB Entry DOI: 10.7270/Q20K29CW
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50266889
PNG
(CHEMBL513922 | N-benzyl-N-ethyl-2-(7-methyl-8-oxo-...)
Show SMILES CCN(Cc1ccccc1)C(=O)Cn1c2nc(ncc2n(C)c1=O)-c1ccccc1
Show InChI InChI=1S/C23H23N5O2/c1-3-27(15-17-10-6-4-7-11-17)20(29)16-28-22-19(26(2)23(28)30)14-24-21(25-22)18-12-8-5-9-13-18/h4-14H,3,15-16H2,1-2H3
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0.200n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [11C]PK11195 from PBR receptor in rat brain membrane


Bioorg Med Chem Lett 19: 1707-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.093
BindingDB Entry DOI: 10.7270/Q2C82B6C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50312840
PNG
(CHEMBL1076680 | US9139546, 16 | [11C](3',5'-dichlo...)
Show SMILES COc1cc(cc(OC)c1-c1cc(Cl)cc(Cl)c1)C(O)c1cccs1
Show InChI InChI=1S/C19H16Cl2O3S/c1-23-15-8-12(19(22)17-4-3-5-25-17)9-16(24-2)18(15)11-6-13(20)10-14(21)7-11/h3-10,19,22H,1-2H3
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0.270n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to rat brain CB2 receptor


Bioorg Med Chem Lett 20: 1565-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.074
BindingDB Entry DOI: 10.7270/Q2N29X34
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50185958
PNG
(CHEMBL205971 | N-(2-methoxybenzyl)-N-(4-chloro-2-p...)
Show SMILES COc1ccccc1CN(C(C)=O)c1ccc(Cl)cc1Oc1ccccc1
Show InChI InChI=1S/C22H20ClNO3/c1-16(25)24(15-17-8-6-7-11-21(17)26-2)20-13-12-18(23)14-22(20)27-19-9-4-3-5-10-19/h3-14H,15H2,1-2H3
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0.310n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [11C](R)-PK1119 from Sprague-Dawley rat brain PBR


J Med Chem 49: 2735-42 (2006)


Article DOI: 10.1021/jm060006k
BindingDB Entry DOI: 10.7270/Q20K29CW
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM22032
PNG
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
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0.310n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [11C]PK11195 from PBR receptor in rat brain membrane


Bioorg Med Chem Lett 19: 1707-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.093
BindingDB Entry DOI: 10.7270/Q2C82B6C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50163592
PNG
((3,4-Dihydro-2H-1-oxa-9-aza-anthracen-6-yl)-(4-met...)
Show SMILES CO[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3OCCCc3cc2c1 |wU:5.8,2.1,(-8.6,-.89,;-7.27,-1.66,;-5.94,-.89,;-5.94,.65,;-4.61,1.42,;-3.28,.65,;-3.28,-.89,;-4.61,-1.66,;-1.95,1.42,;-1.98,2.96,;-.62,.67,;-.62,-.87,;.72,-1.64,;2.05,-.85,;3.39,-1.62,;4.72,-.82,;6.07,-1.57,;7.4,-.8,;7.38,.76,;6.03,1.51,;4.7,.72,;3.36,1.49,;2.04,.69,;.71,1.44,)|
Show InChI InChI=1S/C20H23NO3/c1-23-17-7-4-13(5-8-17)19(22)14-6-9-18-16(11-14)12-15-3-2-10-24-20(15)21-18/h6,9,11-13,17H,2-5,7-8,10H2,1H3/t13-,17+
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0.340n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to mGluR1


Bioorg Med Chem 19: 102-10 (2011)


Article DOI: 10.1016/j.bmc.2010.11.048
BindingDB Entry DOI: 10.7270/Q21R6QSS
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50329410
PNG
(CHEMBL1270323 | N-(2-(4-(benzo[d]isoxazol-3-yl)pip...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1noc2ccccc12
Show InChI InChI=1S/C20H21FN4O2/c21-16-7-5-15(6-8-16)20(26)22-9-10-24-11-13-25(14-12-24)19-17-3-1-2-4-18(17)27-23-19/h1-8H,9-14H2,(H,22,26)
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0.340n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari A Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 7344-55 (2010)


Article DOI: 10.1021/jm100925m
BindingDB Entry DOI: 10.7270/Q28G8KX3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50301822
PNG
(5-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-tria...)
Show SMILES CCCN1Cc2cc(ccc2C1=O)-c1nnn(c1C)-c1cccnc1F
Show InChI InChI=1S/C19H18FN5O/c1-3-9-24-11-14-10-13(6-7-15(14)19(24)26)17-12(2)25(23-22-17)16-5-4-8-21-18(16)20/h4-8,10H,3,9,11H2,1-2H3
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0.400n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to mGluR1 by PET analysis


Bioorg Med Chem Lett 21: 2998-3001 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.046
BindingDB Entry DOI: 10.7270/Q2WH2Q9B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50301822
PNG
(5-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-tria...)
Show SMILES CCCN1Cc2cc(ccc2C1=O)-c1nnn(c1C)-c1cccnc1F
Show InChI InChI=1S/C19H18FN5O/c1-3-9-24-11-14-10-13(6-7-15(14)19(24)26)17-12(2)25(23-22-17)16-5-4-8-21-18(16)20/h4-8,10H,3,9,11H2,1-2H3
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0.400n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to mGluR1


Bioorg Med Chem 19: 102-10 (2011)


Article DOI: 10.1016/j.bmc.2010.11.048
BindingDB Entry DOI: 10.7270/Q21R6QSS
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50185959
PNG
(CHEMBL381602 | N-(2-ethoxybenzyl)-N-(4-chloro-2-ph...)
Show SMILES CCOc1ccccc1CN(C(C)=O)c1ccc(Cl)cc1Oc1ccccc1
Show InChI InChI=1S/C23H22ClNO3/c1-3-27-22-12-8-7-9-18(22)16-25(17(2)26)21-14-13-19(24)15-23(21)28-20-10-5-4-6-11-20/h4-15H,3,16H2,1-2H3
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0.410n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [11C](R)-PK1119 from Sprague-Dawley rat brain PBR


J Med Chem 49: 2735-42 (2006)


Article DOI: 10.1021/jm060006k
BindingDB Entry DOI: 10.7270/Q20K29CW
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50266861
PNG
(CHEMBL515622 | N-benzyl-N-ethyl-2-(7-(2-fluoroethy...)
Show SMILES CCN(Cc1ccccc1)C(=O)Cn1c2nc(ncc2n(CCF)c1=O)-c1ccccc1
Show InChI InChI=1S/C24H24FN5O2/c1-2-28(16-18-9-5-3-6-10-18)21(31)17-30-23-20(29(14-13-25)24(30)32)15-26-22(27-23)19-11-7-4-8-12-19/h3-12,15H,2,13-14,16-17H2,1H3
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0.490n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [11C]PK11195 from PBR receptor in rat brain membrane


Bioorg Med Chem Lett 19: 1707-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.093
BindingDB Entry DOI: 10.7270/Q2C82B6C
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50266863
PNG
(CHEMBL476811 | N-benzyl-N-(2-fluoroethyl)-2-(7-met...)
Show SMILES Cn1c2cnc(nc2n(CC(=O)N(CCF)Cc2ccccc2)c1=O)-c1ccccc1
Show InChI InChI=1S/C23H22FN5O2/c1-27-19-14-25-21(18-10-6-3-7-11-18)26-22(19)29(23(27)31)16-20(30)28(13-12-24)15-17-8-4-2-5-9-17/h2-11,14H,12-13,15-16H2,1H3
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0.510n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [11C]PK11195 from PBR receptor in rat brain membrane


Bioorg Med Chem Lett 19: 1707-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.093
BindingDB Entry DOI: 10.7270/Q2C82B6C
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM22032
PNG
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
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0.540n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [11C](R)-PK1119 from Sprague-Dawley rat brain PBR


J Med Chem 49: 2735-42 (2006)


Article DOI: 10.1021/jm060006k
BindingDB Entry DOI: 10.7270/Q20K29CW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50266889
PNG
(CHEMBL513922 | N-benzyl-N-ethyl-2-(7-methyl-8-oxo-...)
Show SMILES CCN(Cc1ccccc1)C(=O)Cn1c2nc(ncc2n(C)c1=O)-c1ccccc1
Show InChI InChI=1S/C23H23N5O2/c1-3-27(15-17-10-6-4-7-11-17)20(29)16-28-22-19(26(2)23(28)30)14-24-21(25-22)18-12-8-5-9-13-18/h4-14H,3,15-16H2,1-2H3
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0.600n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [11C]-PK-11195 from TPSO in Sprague-Dawley rat brain homogenate after 30 mins by gamma counting


J Med Chem 54: 6040-9 (2011)


Article DOI: 10.1021/jm200516a
BindingDB Entry DOI: 10.7270/Q2C53N16
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50185957
PNG
(CHEMBL205767 | N-(2-isopropoxybenzyl)-N-(4-chloro-...)
Show SMILES CC(C)Oc1ccccc1CN(C(C)=O)c1ccc(Cl)cc1Oc1ccccc1
Show InChI InChI=1S/C24H24ClNO3/c1-17(2)28-23-12-8-7-9-19(23)16-26(18(3)27)22-14-13-20(25)15-24(22)29-21-10-5-4-6-11-21/h4-15,17H,16H2,1-3H3
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0.680n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [11C]DAA1106 from Sprague-Dawley rat brain PBR


J Med Chem 49: 2735-42 (2006)


Article DOI: 10.1021/jm060006k
BindingDB Entry DOI: 10.7270/Q20K29CW
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50054139
PNG
((R)1-(2-Chloro-phenyl)-isoquinoline-3-carboxylic a...)
Show SMILES CC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3/t14-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [11C]-PK-11195 from TPSO in Sprague-Dawley rat brain homogenate after 30 mins by gamma counting


J Med Chem 54: 6040-9 (2011)


Article DOI: 10.1021/jm200516a
BindingDB Entry DOI: 10.7270/Q2C53N16
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM22032
PNG
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
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0.820n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [11C]DAA1106 from Sprague-Dawley rat brain PBR


J Med Chem 49: 2735-42 (2006)


Article DOI: 10.1021/jm060006k
BindingDB Entry DOI: 10.7270/Q20K29CW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM22032
PNG
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
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0.830n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
In vitro inhibition of [11C]2 binding to Peripheral benzodiazepine receptor (PBR) in rat brain


J Med Chem 47: 2228-35 (2004)


Article DOI: 10.1021/jm0304919
BindingDB Entry DOI: 10.7270/Q20G3KXQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50333368
PNG
(CHEMBL1645348 | [11C]-cis-(3-ethyl-2-methylquinoli...)
Show SMILES CCc1cc2cc(ccc2nc1C)C(=O)[C@@H]1CC[C@@H](CC1)OC |r,wU:15.16,18.23,(4.3,-15,;2.96,-14.24,;1.63,-15.01,;.3,-14.25,;-1.03,-15.02,;-2.36,-14.25,;-3.69,-15.02,;-3.7,-16.56,;-2.37,-17.33,;-1.03,-16.56,;.3,-17.33,;1.64,-16.56,;2.97,-17.33,;-5.02,-14.25,;-5.02,-12.71,;-6.36,-15.01,;-7.69,-14.23,;-9.01,-15.01,;-9.01,-16.55,;-7.69,-17.31,;-6.36,-16.55,;-10.35,-17.32,;-11.68,-16.55,)|
Show InChI InChI=1S/C20H25NO2/c1-4-14-11-17-12-16(7-10-19(17)21-13(14)2)20(22)15-5-8-18(23-3)9-6-15/h7,10-12,15,18H,4-6,8-9H2,1-3H3/t15-,18+
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0.870n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to mGluR1


Bioorg Med Chem 19: 102-10 (2011)


Article DOI: 10.1016/j.bmc.2010.11.048
BindingDB Entry DOI: 10.7270/Q21R6QSS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50333368
PNG
(CHEMBL1645348 | [11C]-cis-(3-ethyl-2-methylquinoli...)
Show SMILES CCc1cc2cc(ccc2nc1C)C(=O)[C@@H]1CC[C@@H](CC1)OC |r,wU:15.16,18.23,(4.3,-15,;2.96,-14.24,;1.63,-15.01,;.3,-14.25,;-1.03,-15.02,;-2.36,-14.25,;-3.69,-15.02,;-3.7,-16.56,;-2.37,-17.33,;-1.03,-16.56,;.3,-17.33,;1.64,-16.56,;2.97,-17.33,;-5.02,-14.25,;-5.02,-12.71,;-6.36,-15.01,;-7.69,-14.23,;-9.01,-15.01,;-9.01,-16.55,;-7.69,-17.31,;-6.36,-16.55,;-10.35,-17.32,;-11.68,-16.55,)|
Show InChI InChI=1S/C20H25NO2/c1-4-14-11-17-12-16(7-10-19(17)21-13(14)2)20(22)15-5-8-18(23-3)9-6-15/h7,10-12,15,18H,4-6,8-9H2,1-3H3/t15-,18+
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0.870n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to mGluR1 by PET analysis


Bioorg Med Chem Lett 21: 2998-3001 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.046
BindingDB Entry DOI: 10.7270/Q2WH2Q9B
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50329412
PNG
(CHEMBL1270423 | N-[2-[4-(3-Cyanopyridin-2-yl)piper...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1ncccc1C#N
Show InChI InChI=1S/C19H20FN5O/c20-17-5-3-15(4-6-17)19(26)23-8-9-24-10-12-25(13-11-24)18-16(14-21)2-1-7-22-18/h1-7H,8-13H2,(H,23,26)
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0.930n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari A Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 7344-55 (2010)


Article DOI: 10.1021/jm100925m
BindingDB Entry DOI: 10.7270/Q28G8KX3
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50440024
PNG
(CHEMBL2425785)
Show SMILES COCc1nc(C)ncc1OC[C@]1(C[C@H]1C(=O)Nc1ccc(F)cn1)c1cccc(F)c1 |r|
Show InChI InChI=1S/C23H22F2N4O3/c1-14-26-11-20(19(28-14)12-31-2)32-13-23(15-4-3-5-16(24)8-15)9-18(23)22(30)29-21-7-6-17(25)10-27-21/h3-8,10-11,18H,9,12-13H2,1-2H3,(H,27,29,30)/t18-,23+/m0/s1
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1n/an/an/an/an/an/an/an/a



Eisai Co. , Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-orexin-A from human OX1 receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis


J Med Chem 56: 6371-85 (2013)


Article DOI: 10.1021/jm400772t
BindingDB Entry DOI: 10.7270/Q2QF8V91
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50440021
PNG
(CHEMBL2425788)
Show SMILES COCc1nc(C)ncc1OC[C@]1(C[C@H]1C(=O)Nc1ccc(F)cn1)c1ccccc1 |r|
Show InChI InChI=1S/C23H23FN4O3/c1-15-25-12-20(19(27-15)13-30-2)31-14-23(16-6-4-3-5-7-16)10-18(23)22(29)28-21-9-8-17(24)11-26-21/h3-9,11-12,18H,10,13-14H2,1-2H3,(H,26,28,29)/t18-,23+/m0/s1
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1n/an/an/an/an/an/an/an/a



Eisai Co. , Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-orexin-A from human OX2 receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis


J Med Chem 56: 6371-85 (2013)


Article DOI: 10.1021/jm400772t
BindingDB Entry DOI: 10.7270/Q2QF8V91
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50440024
PNG
(CHEMBL2425785)
Show SMILES COCc1nc(C)ncc1OC[C@]1(C[C@H]1C(=O)Nc1ccc(F)cn1)c1cccc(F)c1 |r|
Show InChI InChI=1S/C23H22F2N4O3/c1-14-26-11-20(19(28-14)12-31-2)32-13-23(15-4-3-5-16(24)8-15)9-18(23)22(30)29-21-7-6-17(25)10-27-21/h3-8,10-11,18H,9,12-13H2,1-2H3,(H,27,29,30)/t18-,23+/m0/s1
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1n/an/an/an/an/an/an/an/a



Eisai Co. , Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-orexin-A from human OX2 receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis


J Med Chem 56: 6371-85 (2013)


Article DOI: 10.1021/jm400772t
BindingDB Entry DOI: 10.7270/Q2QF8V91
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50266862
PNG
(CHEMBL476607 | N-benzyl-2-(7-(2-fluoroethyl)-8-oxo...)
Show SMILES CN(Cc1ccccc1)C(=O)Cn1c2nc(ncc2n(CCF)c1=O)-c1ccccc1
Show InChI InChI=1S/C23H22FN5O2/c1-27(15-17-8-4-2-5-9-17)20(30)16-29-22-19(28(13-12-24)23(29)31)14-25-21(26-22)18-10-6-3-7-11-18/h2-11,14H,12-13,15-16H2,1H3
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1.34n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [11C]PK11195 from PBR receptor in rat brain membrane


Bioorg Med Chem Lett 19: 1707-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.093
BindingDB Entry DOI: 10.7270/Q2C82B6C
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50329407
PNG
(CHEMBL1270121 | N-[2-[4-(3-Cyanopyridin-2-yl)piper...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ncccc1C#N
Show InChI InChI=1S/C20H23N5O2/c1-27-18-6-2-4-16(14-18)20(26)23-8-9-24-10-12-25(13-11-24)19-17(15-21)5-3-7-22-19/h2-7,14H,8-13H2,1H3,(H,23,26)
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1.52n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari A Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 7344-55 (2010)


Article DOI: 10.1021/jm100925m
BindingDB Entry DOI: 10.7270/Q28G8KX3
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50329408
PNG
(CHEMBL1270227 | N-[2-[4-(4-Chlorophenyl)piperazin-...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClFN3O/c20-16-3-7-18(8-4-16)24-13-11-23(12-14-24)10-9-22-19(25)15-1-5-17(21)6-2-15/h1-8H,9-14H2,(H,22,25)
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1.76n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari A Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 7344-55 (2010)


Article DOI: 10.1021/jm100925m
BindingDB Entry DOI: 10.7270/Q28G8KX3
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50329405
PNG
(CHEMBL1270013 | N-(2-(4-(benzo[d]isoxazol-3-yl)pip...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1noc2ccccc12
Show InChI InChI=1S/C21H24N4O3/c1-27-17-6-4-5-16(15-17)21(26)22-9-10-24-11-13-25(14-12-24)20-18-7-2-3-8-19(18)28-23-20/h2-8,15H,9-14H2,1H3,(H,22,26)
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1.93n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari A Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 7344-55 (2010)


Article DOI: 10.1021/jm100925m
BindingDB Entry DOI: 10.7270/Q28G8KX3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50440025
PNG
(CHEMBL2425784)
Show SMILES COc1cc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2cccc(F)c2)ncc1F |r|
Show InChI InChI=1S/C23H22F2N4O3/c1-13-20(11-26-14(2)28-13)32-12-23(15-5-4-6-16(24)7-15)9-17(23)22(30)29-21-8-19(31-3)18(25)10-27-21/h4-8,10-11,17H,9,12H2,1-3H3,(H,27,29,30)/t17-,23+/m0/s1
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2n/an/an/an/an/an/an/an/a



Eisai Co. , Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-orexin-A from human OX2 receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis


J Med Chem 56: 6371-85 (2013)


Article DOI: 10.1021/jm400772t
BindingDB Entry DOI: 10.7270/Q2QF8V91
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50273942
PNG
(4-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-tria...)
Show SMILES CC(C)N(C)C(=O)N1CCC(=CC1)c1nnn(c1C)-c1cccnc1F |c:10|
Show InChI InChI=1S/C18H23FN6O/c1-12(2)23(4)18(26)24-10-7-14(8-11-24)16-13(3)25(22-21-16)15-6-5-9-20-17(15)19/h5-7,9,12H,8,10-11H2,1-4H3
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2n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to mGluR1 by PET analysis


Bioorg Med Chem Lett 21: 2998-3001 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.046
BindingDB Entry DOI: 10.7270/Q2WH2Q9B
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50440022
PNG
(CHEMBL2425787)
Show SMILES COc1nc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2cccc(F)c2)ccc1F |r|
Show InChI InChI=1S/C23H22F2N4O3/c1-13-19(11-26-14(2)27-13)32-12-23(15-5-4-6-16(24)9-15)10-17(23)21(30)28-20-8-7-18(25)22(29-20)31-3/h4-9,11,17H,10,12H2,1-3H3,(H,28,29,30)/t17-,23+/m0/s1
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2n/an/an/an/an/an/an/an/a



Eisai Co. , Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-orexin-A from human OX2 receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis


J Med Chem 56: 6371-85 (2013)


Article DOI: 10.1021/jm400772t
BindingDB Entry DOI: 10.7270/Q2QF8V91
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50312841
PNG
(CHEMBL1081609 | US9139546, 30 | [11C](3',5'-dichlo...)
Show SMILES COc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1cccs1
Show InChI InChI=1S/C18H12Cl2O3S/c1-23-15-8-11(18(22)16-3-2-4-24-16)7-14(21)17(15)10-5-12(19)9-13(20)6-10/h2-9,21H,1H3
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2.30n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to rat brain CB2 receptor


Bioorg Med Chem Lett 20: 1565-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.074
BindingDB Entry DOI: 10.7270/Q2N29X34
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50329409
PNG
(CHEMBL1270322 | N-[2-[4-(4-Methylphenyl)piperazin-...)
Show SMILES Cc1ccc(cc1)N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H24FN3O/c1-16-2-8-19(9-3-16)24-14-12-23(13-15-24)11-10-22-20(25)17-4-6-18(21)7-5-17/h2-9H,10-15H2,1H3,(H,22,25)
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2.64n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari A Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 7344-55 (2010)


Article DOI: 10.1021/jm100925m
BindingDB Entry DOI: 10.7270/Q28G8KX3
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50329413
PNG
(CHEMBL1270516 | N-[2-[4-(5-Chloropyridin-2-yl)pipe...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cn1
Show InChI InChI=1S/C18H20ClFN4O/c19-15-3-6-17(22-13-15)24-11-9-23(10-12-24)8-7-21-18(25)14-1-4-16(20)5-2-14/h1-6,13H,7-12H2,(H,21,25)
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2.92n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari A Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 7344-55 (2010)


Article DOI: 10.1021/jm100925m
BindingDB Entry DOI: 10.7270/Q28G8KX3
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50440025
PNG
(CHEMBL2425784)
Show SMILES COc1cc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2cccc(F)c2)ncc1F |r|
Show InChI InChI=1S/C23H22F2N4O3/c1-13-20(11-26-14(2)28-13)32-12-23(15-5-4-6-16(24)7-15)9-17(23)22(30)29-21-8-19(31-3)18(25)10-27-21/h4-8,10-11,17H,9,12H2,1-3H3,(H,27,29,30)/t17-,23+/m0/s1
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3n/an/an/an/an/an/an/an/a



Eisai Co. , Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-orexin-A from human OX1 receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis


J Med Chem 56: 6371-85 (2013)


Article DOI: 10.1021/jm400772t
BindingDB Entry DOI: 10.7270/Q2QF8V91
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50273942
PNG
(4-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-tria...)
Show SMILES CC(C)N(C)C(=O)N1CCC(=CC1)c1nnn(c1C)-c1cccnc1F |c:10|
Show InChI InChI=1S/C18H23FN6O/c1-12(2)23(4)18(26)24-10-7-14(8-11-24)16-13(3)25(22-21-16)15-6-5-9-20-17(15)19/h5-7,9,12H,8,10-11H2,1-4H3
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3.90n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to mGluR1


Bioorg Med Chem 19: 102-10 (2011)


Article DOI: 10.1016/j.bmc.2010.11.048
BindingDB Entry DOI: 10.7270/Q21R6QSS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50312838
PNG
(CHEMBL1081623 | SCH-225336 | [11C]N-(1-(4-(4-metho...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(OC)ccc1S(=O)(=O)c1ccc(cc1)C(C)NS(C)(=O)=O
Show InChI InChI=1S/C23H25NO8S3/c1-16(24-33(4,25)26)17-5-10-20(11-6-17)34(27,28)22-14-9-19(32-3)15-23(22)35(29,30)21-12-7-18(31-2)8-13-21/h5-16,24H,1-4H3
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4.5n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1565-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.074
BindingDB Entry DOI: 10.7270/Q2N29X34
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50333371
PNG
(CHEMBL1645351 | CHEMBL1771388 | [11C]-6-N-cyclohex...)
Show SMILES COCCN(C)Cc1ccc2nc3sc(cn3c2c1)C(=O)N(C)C1CCCCC1
Show InChI InChI=1S/C22H30N4O2S/c1-24(11-12-28-3)14-16-9-10-18-19(13-16)26-15-20(29-22(26)23-18)21(27)25(2)17-7-5-4-6-8-17/h9-10,13,15,17H,4-8,11-12,14H2,1-3H3
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4.80n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to mGluR1


Bioorg Med Chem 19: 102-10 (2011)


Article DOI: 10.1016/j.bmc.2010.11.048
BindingDB Entry DOI: 10.7270/Q21R6QSS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50333371
PNG
(CHEMBL1645351 | CHEMBL1771388 | [11C]-6-N-cyclohex...)
Show SMILES COCCN(C)Cc1ccc2nc3sc(cn3c2c1)C(=O)N(C)C1CCCCC1
Show InChI InChI=1S/C22H30N4O2S/c1-24(11-12-28-3)14-16-9-10-18-19(13-16)26-15-20(29-22(26)23-18)21(27)25(2)17-7-5-4-6-8-17/h9-10,13,15,17H,4-8,11-12,14H2,1-3H3
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4.80n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to mGluR1 by PET analysis


Bioorg Med Chem Lett 21: 2998-3001 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.046
BindingDB Entry DOI: 10.7270/Q2WH2Q9B
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50144889
PNG
(CHEMBL72521 | N-(5-Fluoro-2-phenoxy-phenyl)-N-(2-i...)
Show SMILES COc1ccc(OCI)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1
Show InChI InChI=1S/C23H21FINO4/c1-16(27)26(14-17-12-20(28-2)9-11-22(17)29-15-25)21-13-18(24)8-10-23(21)30-19-6-4-3-5-7-19/h3-13H,14-15H2,1-2H3
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4.80n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
In vitro inhibition of [11C]2 binding to Peripheral benzodiazepine receptor (PBR) in rat brain


J Med Chem 47: 2228-35 (2004)


Article DOI: 10.1021/jm0304919
BindingDB Entry DOI: 10.7270/Q20G3KXQ
More data for this
Ligand-Target Pair
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