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Compile Data Set for Download or QSAR

Found 2345 hits with Last Name = 'suzuki' and Initial = 'k'   
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
Translocator protein


(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
Translocator protein


(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
Translocator protein


(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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0.0740n/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
Translocator protein


(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
Translocator protein


(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
Translocator protein


(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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0.0980n/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
Translocator protein


(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
Translocator protein


(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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50160807
PNG
(4-(4-Fluoro-phenyl)-2-(4-propyl-piperazin-1-yl)-5,...)
Show SMILES CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CCCCCCc2n1
Show InChI InChI=1S/C23H30FN3/c1-2-26-13-15-27(16-14-26)23-17-21(18-9-11-19(24)12-10-18)20-7-5-3-4-6-8-22(20)25-23/h9-12,17H,2-8,13-16H2,1H3
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0.140n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against recombinant human dopamine receptor D2L in human liver microsomes


Bioorg Med Chem Lett 15: 1055-9 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.028
BindingDB Entry DOI: 10.7270/Q2Z60NKV
More data for this
Ligand-Target Pair
Translocator protein


(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
Translocator protein


(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
Translocator protein


(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
Translocator protein


(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
Translocator protein


(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
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)
BDBM50056419
PNG
(4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2 |wD:13.13,TLB:12:13:17.16:19.20,(11.11,-14.18,;11.11,-12.63,;9.77,-11.88,;8.43,-12.66,;7.09,-11.89,;5.75,-12.66,;7.09,-10.33,;5.76,-9.57,;8.43,-9.56,;9.75,-10.36,;11.09,-9.59,;11.11,-8.04,;12.44,-10.36,;13.77,-9.59,;14.8,-8.58,;16.63,-8.19,;17.94,-9.45,;16.9,-10.39,;15.57,-9.1,;15.88,-7.77,;16.88,-7.14,)|
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)/t13-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]GR-65630 binding to rat cortical membrane serotonin 5-hydroxytryptamine 3 receptor


J Med Chem 46: 702-15 (2003)


Article DOI: 10.1021/jm020270n
BindingDB Entry DOI: 10.7270/Q25H7H06
More data for this
Ligand-Target Pair
Translocator protein


(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)
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50016867
PNG
((S)-6-Amino-2-((S)-2-{(R)-2-[(S)-2-amino-3-(4-hydr...)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C30H45N9O5/c31-15-5-4-9-23(26(33)41)37-29(44)25(18-19-7-2-1-3-8-19)39-28(43)24(10-6-16-36-30(34)35)38-27(42)22(32)17-20-11-13-21(40)14-12-20/h1-3,7-8,11-14,22-25,40H,4-6,9-10,15-18,31-32H2,(H2,33,41)(H,37,44)(H,38,42)(H,39,43)(H4,34,35,36)/t22-,23-,24+,25-/m0/s1
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0.380n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against mu-opioid receptor by using [3H]-DAGO as radioligand in rat brain


Bioorg Med Chem Lett 4: 2049-2054 (1994)


Article DOI: 10.1016/S0960-894X(01)80561-8
BindingDB Entry DOI: 10.7270/Q2MK6CV3
More data for this
Ligand-Target Pair
Translocator protein


(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
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)
BDBM50449636
PNG
(BRL-43694 | GRANISETRON | Kytril | LY-278584 | San...)
Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1nn(C)c3ccccc13)N2C |r,TLB:24:23:8.9.7:2.4.3|
Show InChI InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13-,14+
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0.5n/an/an/an/an/an/an/an/a



Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 3 receptor was determined by measuring displacement of [3H]GR-65630 from rat brain cortices


J Med Chem 41: 3015-21 (1998)


Article DOI: 10.1021/jm9801004
BindingDB Entry DOI: 10.7270/Q20P10Q9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50283041
PNG
((R)-2-{2-[2-Amino-4-(2-{(S)-guanidino-1-(S)-2-[(R)...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C52H71N15O9/c53-37(27-33-15-19-35(68)20-16-33)45(71)64-40(13-7-24-61-51(56)57)48(74)66-42(29-31-9-3-1-4-10-31)47(73)60-26-23-39(44(55)70)63-50(76)43(30-32-11-5-2-6-12-32)67-49(75)41(14-8-25-62-52(58)59)65-46(72)38(54)28-34-17-21-36(69)22-18-34/h1-6,9-12,15-22,37-43,68-69H,7-8,13-14,23-30,53-54H2,(H2,55,70)(H,60,73)(H,63,76)(H,64,71)(H,65,72)(H,66,74)(H,67,75)(H4,56,57,61)(H4,58,59,62)/t37-,38-,39-,40-,41-,42-,43-/m0/s1
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0.510n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against mu-opioid receptor by using [3H]-DAGO as radioligand in rat brain


Bioorg Med Chem Lett 4: 2049-2054 (1994)


Article DOI: 10.1016/S0960-894X(01)80561-8
BindingDB Entry DOI: 10.7270/Q2MK6CV3
More data for this
Ligand-Target Pair
Translocator protein


(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
Translocator protein


(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)
Translocator protein


(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
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)
BDBM82519
PNG
(4-amino-5-chloro-2-methoxy-N-(8-methyl-8-azabicycl...)
Show SMILES [H]C12CCC([H])(CC(C1)NC(=O)c1cc(Cl)c(N)cc1OC)N2C
Show InChI InChI=1S/C16H22ClN3O2/c1-20-10-3-4-11(20)6-9(5-10)19-16(21)12-7-13(17)14(18)8-15(12)22-2/h7-11H,3-6,18H2,1-2H3,(H,19,21)
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0.800n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]GR-65630 binding to rat cortical membrane serotonin 5-hydroxytryptamine 3 receptor


J Med Chem 46: 702-15 (2003)


Article DOI: 10.1021/jm020270n
BindingDB Entry DOI: 10.7270/Q25H7H06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)
BDBM82519
PNG
(4-amino-5-chloro-2-methoxy-N-(8-methyl-8-azabicycl...)
Show SMILES [H]C12CCC([H])(CC(C1)NC(=O)c1cc(Cl)c(N)cc1OC)N2C
Show InChI InChI=1S/C16H22ClN3O2/c1-20-10-3-4-11(20)6-9(5-10)19-16(21)12-7-13(17)14(18)8-15(12)22-2/h7-11H,3-6,18H2,1-2H3,(H,19,21)
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0.800n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]GR-65630 binding to rat cortical membrane serotonin 5-hydroxytryptamine 3 receptor


J Med Chem 46: 702-15 (2003)


Article DOI: 10.1021/jm020270n
BindingDB Entry DOI: 10.7270/Q25H7H06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50160807
PNG
(4-(4-Fluoro-phenyl)-2-(4-propyl-piperazin-1-yl)-5,...)
Show SMILES CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CCCCCCc2n1
Show InChI InChI=1S/C23H30FN3/c1-2-26-13-15-27(16-14-26)23-17-21(18-9-11-19(24)12-10-18)20-7-5-3-4-6-8-22(20)25-23/h9-12,17H,2-8,13-16H2,1H3
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0.810n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity against recombinant human 5-hydroxytryptamine 2A receptor in human liver microsomes


Bioorg Med Chem Lett 15: 1055-9 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.028
BindingDB Entry DOI: 10.7270/Q2Z60NKV
More data for this
Ligand-Target Pair
Translocator protein


(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)
Translocator protein


(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)
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)
BDBM50066000
PNG
(5-Chloro-7-methyl-2-(4-methyl-[1,4]diazepan-1-yl)-...)
Show SMILES CN1CCCN(CC1)c1nc2cc(Cl)cc(C)c2o1
Show InChI InChI=1S/C14H18ClN3O/c1-10-8-11(15)9-12-13(10)19-14(16-12)18-5-3-4-17(2)6-7-18/h8-9H,3-7H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 3 receptor was determined by measuring displacement of [3H]GR-65630 from rat brain cortices


J Med Chem 41: 3015-21 (1998)


Article DOI: 10.1021/jm9801004
BindingDB Entry DOI: 10.7270/Q20P10Q9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50283037
PNG
(CHEMBL291609 | [(S)-5-((S)-2-{(R)-2-[(S)-2-Amino-3...)
Show SMILES C[N+](C)(C)CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C33H51N9O5/c1-42(2,3)19-8-7-12-26(29(35)44)39-32(47)28(21-22-10-5-4-6-11-22)41-31(46)27(13-9-18-38-33(36)37)40-30(45)25(34)20-23-14-16-24(43)17-15-23/h4-6,10-11,14-17,25-28H,7-9,12-13,18-21,34H2,1-3H3,(H9-,35,36,37,38,39,40,41,43,44,45,46,47)/p+1/t25-,26-,27+,28-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against mu-opioid receptor by using [3H]-DAGO as radioligand in rat brain


Bioorg Med Chem Lett 4: 2049-2054 (1994)


Article DOI: 10.1016/S0960-894X(01)80561-8
BindingDB Entry DOI: 10.7270/Q2MK6CV3
More data for this
Ligand-Target Pair
Translocator protein


(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
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50283039
PNG
(CHEMBL424228 | [(S)-4-((S)-2-{(R)-2-[(S)-2-Amino-3...)
Show SMILES C[N+](C)(C)CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C32H49N9O5/c1-41(2,3)18-8-12-25(28(34)43)38-31(46)27(20-21-9-5-4-6-10-21)40-30(45)26(11-7-17-37-32(35)36)39-29(44)24(33)19-22-13-15-23(42)16-14-22/h4-6,9-10,13-16,24-27H,7-8,11-12,17-20,33H2,1-3H3,(H9-,34,35,36,37,38,39,40,42,43,44,45,46)/p+1/t24-,25-,26+,27-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against mu-opioid receptor by using [3H]-DAGO as radioligand in rat brain


Bioorg Med Chem Lett 4: 2049-2054 (1994)


Article DOI: 10.1016/S0960-894X(01)80561-8
BindingDB Entry DOI: 10.7270/Q2MK6CV3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50160808
PNG
(4-(4-Fluoro-phenyl)-2-(4-propyl-piperazin-1-yl)-5,...)
Show SMILES CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CCC[C@@H](O)CCc2n1
Show InChI InChI=1S/C23H30FN3O/c1-2-26-12-14-27(15-13-26)23-16-21(17-6-8-18(24)9-7-17)20-5-3-4-19(28)10-11-22(20)25-23/h6-9,16,19,28H,2-5,10-15H2,1H3/t19-/m1/s1
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3.60n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against recombinant human dopamine receptor D2L in human liver microsomes


Bioorg Med Chem Lett 15: 1055-9 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.028
BindingDB Entry DOI: 10.7270/Q2Z60NKV
More data for this
Ligand-Target Pair
Translocator protein


(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
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)
BDBM50280258
PNG
(4-Amino-N-(S)-1-aza-bicyclo[3.3.1]non-4-yl-5-chlor...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN2CCCC1C2
Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-14-4-6-20-5-2-3-10(14)9-20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10?,14-/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]GR-65630 binding to rat cortical membrane serotonin 5-hydroxytryptamine 3 receptor


J Med Chem 46: 702-15 (2003)


Article DOI: 10.1021/jm020270n
BindingDB Entry DOI: 10.7270/Q25H7H06
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50160809
PNG
((R)-4-(4-Fluoro-phenyl)-2-(4-propyl-piperazin-1-yl...)
Show SMILES CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CC[C@H](O)CCCc2n1
Show InChI InChI=1S/C23H30FN3O/c1-2-26-12-14-27(15-13-26)23-16-21(17-6-8-18(24)9-7-17)20-11-10-19(28)4-3-5-22(20)25-23/h6-9,16,19,28H,2-5,10-15H2,1H3/t19-/m1/s1
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6.20n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against recombinant human dopamine receptor D2L in human liver microsomes


Bioorg Med Chem Lett 15: 1055-9 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.028
BindingDB Entry DOI: 10.7270/Q2Z60NKV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50283036
PNG
(CHEMBL294785 | [(S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3...)
Show SMILES C[N+](C)(C)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C31H47N9O5/c1-40(2,3)17-15-24(27(33)42)37-30(45)26(19-20-8-5-4-6-9-20)39-29(44)25(10-7-16-36-31(34)35)38-28(43)23(32)18-21-11-13-22(41)14-12-21/h4-6,8-9,11-14,23-26H,7,10,15-19,32H2,1-3H3,(H9-,33,34,35,36,37,38,39,41,42,43,44,45)/p+1/t23-,24-,25-,26-/m0/s1
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7.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against mu-opioid receptor by using [3H]-DAGO as radioligand in rat brain


Bioorg Med Chem Lett 4: 2049-2054 (1994)


Article DOI: 10.1016/S0960-894X(01)80561-8
BindingDB Entry DOI: 10.7270/Q2MK6CV3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50160808
PNG
(4-(4-Fluoro-phenyl)-2-(4-propyl-piperazin-1-yl)-5,...)
Show SMILES CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CCC[C@@H](O)CCc2n1
Show InChI InChI=1S/C23H30FN3O/c1-2-26-12-14-27(15-13-26)23-16-21(17-6-8-18(24)9-7-17)20-5-3-4-19(28)10-11-22(20)25-23/h6-9,16,19,28H,2-5,10-15H2,1H3/t19-/m1/s1
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9.67n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity against recombinant human 5-hydroxytryptamine 2A receptor in human liver microsomes


Bioorg Med Chem Lett 15: 1055-9 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.028
BindingDB Entry DOI: 10.7270/Q2Z60NKV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50160810
PNG
((S)-4-(4-Fluoro-phenyl)-2-(4-propyl-piperazin-1-yl...)
Show SMILES CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CCC[C@H](O)CCc2n1
Show InChI InChI=1S/C23H30FN3O/c1-2-26-12-14-27(15-13-26)23-16-21(17-6-8-18(24)9-7-17)20-5-3-4-19(28)10-11-22(20)25-23/h6-9,16,19,28H,2-5,10-15H2,1H3/t19-/m0/s1
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11.9n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against recombinant human dopamine receptor D2L in human liver microsomes


Bioorg Med Chem Lett 15: 1055-9 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.028
BindingDB Entry DOI: 10.7270/Q2Z60NKV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50132693
PNG
(4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-met...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
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11.9n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Affinity towards Dopamine receptor D2 in rat striatum using [3H]spiperone as radioligand


J Med Chem 46: 702-15 (2003)


Article DOI: 10.1021/jm020270n
BindingDB Entry DOI: 10.7270/Q25H7H06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50005836
PNG
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)
Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
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14.3n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]GR-113808 binding to guinea pig striatum 5-hydroxytryptamine 4 receptor


J Med Chem 46: 702-15 (2003)


Article DOI: 10.1021/jm020270n
BindingDB Entry DOI: 10.7270/Q25H7H06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50160809
PNG
((R)-4-(4-Fluoro-phenyl)-2-(4-propyl-piperazin-1-yl...)
Show SMILES CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CC[C@H](O)CCCc2n1
Show InChI InChI=1S/C23H30FN3O/c1-2-26-12-14-27(15-13-26)23-16-21(17-6-8-18(24)9-7-17)20-11-10-19(28)4-3-5-22(20)25-23/h6-9,16,19,28H,2-5,10-15H2,1H3/t19-/m1/s1
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14.7n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity against recombinant human 5-hydroxytryptamine 2A receptor in human liver microsomes


Bioorg Med Chem Lett 15: 1055-9 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.028
BindingDB Entry DOI: 10.7270/Q2Z60NKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50160810
PNG
((S)-4-(4-Fluoro-phenyl)-2-(4-propyl-piperazin-1-yl...)
Show SMILES CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CCC[C@H](O)CCc2n1
Show InChI InChI=1S/C23H30FN3O/c1-2-26-12-14-27(15-13-26)23-16-21(17-6-8-18(24)9-7-17)20-5-3-4-19(28)10-11-22(20)25-23/h6-9,16,19,28H,2-5,10-15H2,1H3/t19-/m0/s1
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17.9n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity against recombinant human 5-hydroxytryptamine 2A receptor in human liver microsomes


Bioorg Med Chem Lett 15: 1055-9 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.028
BindingDB Entry DOI: 10.7270/Q2Z60NKV
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50144887
PNG
(CHEMBL443526 | Toluene-4-sulfonic acid 2-(2-{[acet...)
Show SMILES COc1ccc(OCCOS(=O)(=O)c2ccc(C)cc2)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1
Show InChI InChI=1S/C31H30FNO7S/c1-22-9-13-28(14-10-22)41(35,36)39-18-17-38-30-16-12-27(37-3)19-24(30)21-33(23(2)34)29-20-25(32)11-15-31(29)40-26-7-5-4-6-8-26/h4-16,19-20H,17-18,21H2,1-3H3
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18.1n/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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50160806
PNG
(4-(4-Fluoro-phenyl)-2-(4-propyl-piperazin-1-yl)-5,...)
Show SMILES CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CC[C@@H](O)CCCc2n1
Show InChI InChI=1S/C23H30FN3O/c1-2-26-12-14-27(15-13-26)23-16-21(17-6-8-18(24)9-7-17)20-11-10-19(28)4-3-5-22(20)25-23/h6-9,16,19,28H,2-5,10-15H2,1H3/t19-/m0/s1
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18.5n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity against recombinant human 5-hydroxytryptamine 2A receptor in human liver microsomes


Bioorg Med Chem Lett 15: 1055-9 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.028
BindingDB Entry DOI: 10.7270/Q2Z60NKV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50005833
PNG
((exo)4-Amino-5-chloro-N-(hexahydro-pyrrolizin-1-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@H]12
Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-9-10-4-6-20-5-2-3-14(10)20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10-,14-/m0/s1
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21n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]GR-113808 binding to guinea pig striatum 5-hydroxytryptamine 4 receptor


J Med Chem 46: 702-15 (2003)


Article DOI: 10.1021/jm020270n
BindingDB Entry DOI: 10.7270/Q25H7H06
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50160806
PNG
(4-(4-Fluoro-phenyl)-2-(4-propyl-piperazin-1-yl)-5,...)
Show SMILES CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CC[C@@H](O)CCCc2n1
Show InChI InChI=1S/C23H30FN3O/c1-2-26-12-14-27(15-13-26)23-16-21(17-6-8-18(24)9-7-17)20-11-10-19(28)4-3-5-22(20)25-23/h6-9,16,19,28H,2-5,10-15H2,1H3/t19-/m0/s1
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21.2n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against recombinant human dopamine receptor D2L in human liver microsomes


Bioorg Med Chem Lett 15: 1055-9 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.028
BindingDB Entry DOI: 10.7270/Q2Z60NKV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50123801
PNG
(4-Amino-N-[2-(benzyl-methyl-amino)-ethyl]-5-chloro...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCCN(C)Cc1ccccc1
Show InChI InChI=1S/C18H22ClN3O2/c1-22(12-13-6-4-3-5-7-13)9-8-21-18(23)14-10-15(19)16(20)11-17(14)24-2/h3-7,10-11H,8-9,12,20H2,1-2H3,(H,21,23)
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24.3n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Affinity towards Dopamine receptor D2 in rat striatum using [3H]spiperone as radioligand


J Med Chem 46: 702-15 (2003)


Article DOI: 10.1021/jm020270n
BindingDB Entry DOI: 10.7270/Q25H7H06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM50280258
PNG
(4-Amino-N-(S)-1-aza-bicyclo[3.3.1]non-4-yl-5-chlor...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN2CCCC1C2
Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-14-4-6-20-5-2-3-10(14)9-20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10?,14-/m0/s1
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40.4n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]GR-113808 binding to guinea pig striatum 5-hydroxytryptamine 4 receptor


J Med Chem 46: 702-15 (2003)


Article DOI: 10.1021/jm020270n
BindingDB Entry DOI: 10.7270/Q25H7H06
More data for this
Ligand-Target Pair
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