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Compile Data Set for Download or QSAR

Found 138 hits with Last Name = 'baba' and Initial = 's'   
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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM22416
PNG
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
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0.110n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting method


Bioorg Med Chem 25: 293-304 (2017)


Article DOI: 10.1016/j.bmc.2016.10.034
BindingDB Entry DOI: 10.7270/Q2571F0B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Translocator protein


(Rattus norvegicus (rat))
BDBM50429213
PNG
(CHEMBL2332262)
Show SMILES CN(C(=O)Cn1c2cc(cc3CCCn(c23)c1=O)-c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClN3O2/c1-27(21-11-9-20(26)10-12-21)23(30)16-29-22-15-19(17-6-3-2-4-7-17)14-18-8-5-13-28(24(18)22)25(29)31/h2-4,6-7,9-12,14-15H,5,8,13,16H2,1H3
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0.130n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis


Bioorg Med Chem 21: 1257-67 (2013)


Article DOI: 10.1016/j.bmc.2012.12.024
BindingDB Entry DOI: 10.7270/Q28053ZS
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50421113
PNG
(CHEMBL2088371)
Show SMILES CN(C(=O)Cn1c2cc(Br)ccc2oc1=O)c1ccccc1
Show InChI InChI=1S/C16H13BrN2O3/c1-18(12-5-3-2-4-6-12)15(20)10-19-13-9-11(17)7-8-14(13)22-16(19)21/h2-9H,10H2,1H3
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0.180n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50421106
PNG
(CHEMBL2088364)
Show SMILES CN(C(=O)Cn1c2cc(ccc2oc1=O)-c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H17ClN2O3/c1-24(18-10-8-17(23)9-11-18)21(26)14-25-19-13-16(15-5-3-2-4-6-15)7-12-20(19)28-22(25)27/h2-13H,14H2,1H3
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0.210n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50429219
PNG
(CHEMBL2332256)
Show SMILES CN(C(=O)Cn1c2cc(cc3OCCn(c23)c1=O)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H21N3O3/c1-25(19-10-6-3-7-11-19)22(28)16-27-20-14-18(17-8-4-2-5-9-17)15-21-23(20)26(24(27)29)12-13-30-21/h2-11,14-15H,12-13,16H2,1H3
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0.210n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis


Bioorg Med Chem 21: 1257-67 (2013)


Article DOI: 10.1016/j.bmc.2012.12.024
BindingDB Entry DOI: 10.7270/Q28053ZS
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50429217
PNG
(CHEMBL2332258)
Show SMILES CN(Cc1ccccc1)C(=O)Cn1c2cc(cc3CCCn(c23)c1=O)-c1ccccc1
Show InChI InChI=1S/C26H25N3O2/c1-27(17-19-9-4-2-5-10-19)24(30)18-29-23-16-22(20-11-6-3-7-12-20)15-21-13-8-14-28(25(21)23)26(29)31/h2-7,9-12,15-16H,8,13-14,17-18H2,1H3
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0.230n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis


Bioorg Med Chem 21: 1257-67 (2013)


Article DOI: 10.1016/j.bmc.2012.12.024
BindingDB Entry DOI: 10.7270/Q28053ZS
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50429216
PNG
(CHEMBL2332259)
Show SMILES COc1cccc(c1)N(C)C(=O)Cn1c2cc(cc3CCCn(c23)c1=O)-c1ccccc1
Show InChI InChI=1S/C26H25N3O3/c1-27(21-11-6-12-22(16-21)32-2)24(30)17-29-23-15-20(18-8-4-3-5-9-18)14-19-10-7-13-28(25(19)23)26(29)31/h3-6,8-9,11-12,14-16H,7,10,13,17H2,1-2H3
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0.280n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis


Bioorg Med Chem 21: 1257-67 (2013)


Article DOI: 10.1016/j.bmc.2012.12.024
BindingDB Entry DOI: 10.7270/Q28053ZS
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50421116
PNG
(CHEMBL2088374)
Show SMILES COc1ccc(cc1)-c1ccc2oc(=O)n(CC(=O)N(C)c3ccccc3)c2c1
Show InChI InChI=1S/C23H20N2O4/c1-24(18-6-4-3-5-7-18)22(26)15-25-20-14-17(10-13-21(20)29-23(25)27)16-8-11-19(28-2)12-9-16/h3-14H,15H2,1-2H3
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0.290n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50429220
PNG
(CHEMBL2332255)
Show SMILES CN(C(=O)Cn1c2cc(cc3CCCCn(c23)c1=O)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H25N3O2/c1-27(22-13-6-3-7-14-22)24(30)18-29-23-17-21(19-10-4-2-5-11-19)16-20-12-8-9-15-28(25(20)23)26(29)31/h2-7,10-11,13-14,16-17H,8-9,12,15,18H2,1H3
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0.320n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis


Bioorg Med Chem 21: 1257-67 (2013)


Article DOI: 10.1016/j.bmc.2012.12.024
BindingDB Entry DOI: 10.7270/Q28053ZS
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50421115
PNG
(CHEMBL2088373)
Show SMILES COc1cccc(c1)-c1ccc2oc(=O)n(CC(=O)N(C)c3ccccc3)c2c1
Show InChI InChI=1S/C23H20N2O4/c1-24(18-8-4-3-5-9-18)22(26)15-25-20-14-17(11-12-21(20)29-23(25)27)16-7-6-10-19(13-16)28-2/h3-14H,15H2,1-2H3
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0.330n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50206761
PNG
(CHEMBL3958278)
Show SMILES COc1ccc(Br)c(CC2CCN(CCc3ccc4OCCOc4c3)CC2)c1
Show InChI InChI=1S/C23H28BrNO3/c1-26-20-3-4-21(24)19(16-20)14-18-7-10-25(11-8-18)9-6-17-2-5-22-23(15-17)28-13-12-27-22/h2-5,15-16,18H,6-14H2,1H3
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0.360n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 25: 293-304 (2017)


Article DOI: 10.1016/j.bmc.2016.10.034
BindingDB Entry DOI: 10.7270/Q2571F0B
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50421123
PNG
(CHEMBL2088544)
Show SMILES CN(C(=O)Cn1c2cc(ccc2oc1=O)N(C)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H21N3O3/c1-24(17-9-5-3-6-10-17)19-13-14-21-20(15-19)26(23(28)29-21)16-22(27)25(2)18-11-7-4-8-12-18/h3-15H,16H2,1-2H3
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0.360n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50429214
PNG
(CHEMBL2332261)
Show SMILES CN(C(=O)Cn1c2cc(cc3CCCn(c23)c1=O)-c1ccccc1)c1cccc(Cl)c1
Show InChI InChI=1S/C25H22ClN3O2/c1-27(21-11-5-10-20(26)15-21)23(30)16-29-22-14-19(17-7-3-2-4-8-17)13-18-9-6-12-28(24(18)22)25(29)31/h2-5,7-8,10-11,13-15H,6,9,12,16H2,1H3
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0.440n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis


Bioorg Med Chem 21: 1257-67 (2013)


Article DOI: 10.1016/j.bmc.2012.12.024
BindingDB Entry DOI: 10.7270/Q28053ZS
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50421117
PNG
(CHEMBL2088375)
Show SMILES CN(C(=O)Cn1c2cc(ccc2oc1=O)-c1cccc(c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C23H17F3N2O3/c1-27(18-8-3-2-4-9-18)21(29)14-28-19-13-16(10-11-20(19)31-22(28)30)15-6-5-7-17(12-15)23(24,25)26/h2-13H,14H2,1H3
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0.480n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50421114
PNG
(CHEMBL2088372)
Show SMILES CN(C(=O)Cn1c2cc(Cl)ccc2oc1=O)c1ccccc1
Show InChI InChI=1S/C16H13ClN2O3/c1-18(12-5-3-2-4-6-12)15(20)10-19-13-9-11(17)7-8-14(13)22-16(19)21/h2-9H,10H2,1H3
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0.490n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50421119
PNG
(CHEMBL2088377)
Show SMILES CN(C(=O)Cn1c2cc(ccc2oc1=O)-c1ccc(OC(F)(F)F)cc1)c1ccccc1
Show InChI InChI=1S/C23H17F3N2O4/c1-27(17-5-3-2-4-6-17)21(29)14-28-19-13-16(9-12-20(19)31-22(28)30)15-7-10-18(11-8-15)32-23(24,25)26/h2-13H,14H2,1H3
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0.650n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50421118
PNG
(CHEMBL2088376)
Show SMILES CN(C(=O)Cn1c2cc(ccc2oc1=O)-c1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C23H17F3N2O3/c1-27(18-5-3-2-4-6-18)21(29)14-28-19-13-16(9-12-20(19)31-22(28)30)15-7-10-17(11-8-15)23(24,25)26/h2-13H,14H2,1H3
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0.680n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50429215
PNG
(CHEMBL2332260)
Show SMILES COc1ccc(cc1)N(C)C(=O)Cn1c2cc(cc3CCCn(c23)c1=O)-c1ccccc1
Show InChI InChI=1S/C26H25N3O3/c1-27(21-10-12-22(32-2)13-11-21)24(30)17-29-23-16-20(18-7-4-3-5-8-18)15-19-9-6-14-28(25(19)23)26(29)31/h3-5,7-8,10-13,15-16H,6,9,14,17H2,1-2H3
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0.730n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis


Bioorg Med Chem 21: 1257-67 (2013)


Article DOI: 10.1016/j.bmc.2012.12.024
BindingDB Entry DOI: 10.7270/Q28053ZS
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50421105
PNG
(CHEMBL2088363)
Show SMILES CN(C(=O)Cn1c2cc(ccc2oc1=O)-c1ccccc1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H17ClN2O3/c1-24(18-9-5-8-17(23)13-18)21(26)14-25-19-12-16(15-6-3-2-4-7-15)10-11-20(19)28-22(25)27/h2-13H,14H2,1H3
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0.790n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50206755
PNG
(CHEMBL3940484)
Show SMILES COc1ccc(CCN2CCC(Cc3cc(OC)ccc3Br)CC2)cc1
Show InChI InChI=1S/C22H28BrNO2/c1-25-20-5-3-17(4-6-20)9-12-24-13-10-18(11-14-24)15-19-16-21(26-2)7-8-22(19)23/h3-8,16,18H,9-15H2,1-2H3
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0.810n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 25: 293-304 (2017)


Article DOI: 10.1016/j.bmc.2016.10.034
BindingDB Entry DOI: 10.7270/Q2571F0B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50206797
PNG
(CHEMBL3974952)
Show SMILES COc1cccc(CCN2CCC(Cc3cc(OC)ccc3Br)CC2)c1
Show InChI InChI=1S/C22H28BrNO2/c1-25-20-5-3-4-17(15-20)8-11-24-12-9-18(10-13-24)14-19-16-21(26-2)6-7-22(19)23/h3-7,15-16,18H,8-14H2,1-2H3
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0.820n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 25: 293-304 (2017)


Article DOI: 10.1016/j.bmc.2016.10.034
BindingDB Entry DOI: 10.7270/Q2571F0B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50206788
PNG
(CHEMBL3949638)
Show SMILES COc1ccc(Br)c(CC2CCN(CCc3ccc4ccccc4c3)CC2)c1
Show InChI InChI=1S/C25H28BrNO/c1-28-24-8-9-25(26)23(18-24)17-20-11-14-27(15-12-20)13-10-19-6-7-21-4-2-3-5-22(21)16-19/h2-9,16,18,20H,10-15,17H2,1H3
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0.890n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 25: 293-304 (2017)


Article DOI: 10.1016/j.bmc.2016.10.034
BindingDB Entry DOI: 10.7270/Q2571F0B
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50421103
PNG
(CHEMBL2088361)
Show SMILES COc1cccc(c1)N(C)C(=O)Cn1c2cc(ccc2oc1=O)-c1ccccc1
Show InChI InChI=1S/C23H20N2O4/c1-24(18-9-6-10-19(14-18)28-2)22(26)15-25-20-13-17(16-7-4-3-5-8-16)11-12-21(20)29-23(25)27/h3-14H,15H2,1-2H3
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0.900n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50429221
PNG
(CHEMBL2332254)
Show SMILES CN(C(=O)Cn1c2cc(cc3CCCn(c23)c1=O)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H23N3O2/c1-26(21-12-6-3-7-13-21)23(29)17-28-22-16-20(18-9-4-2-5-10-18)15-19-11-8-14-27(24(19)22)25(28)30/h2-7,9-10,12-13,15-16H,8,11,14,17H2,1H3
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0.940n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis


Bioorg Med Chem 21: 1257-67 (2013)


Article DOI: 10.1016/j.bmc.2012.12.024
BindingDB Entry DOI: 10.7270/Q28053ZS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50206759
PNG
(CHEMBL3964504)
Show SMILES COc1ccc(Br)c(CC2CCN(CCc3ccc(F)cc3)CC2)c1
Show InChI InChI=1S/C21H25BrFNO/c1-25-20-6-7-21(22)18(15-20)14-17-9-12-24(13-10-17)11-8-16-2-4-19(23)5-3-16/h2-7,15,17H,8-14H2,1H3
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1n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 25: 293-304 (2017)


Article DOI: 10.1016/j.bmc.2016.10.034
BindingDB Entry DOI: 10.7270/Q2571F0B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50206756
PNG
(CHEMBL3950161)
Show SMILES COc1ccc(Br)c(CC2CCN(CCc3ccc(OC)c(Cl)c3)CC2)c1
Show InChI InChI=1S/C22H27BrClNO2/c1-26-19-4-5-20(23)18(15-19)13-17-8-11-25(12-9-17)10-7-16-3-6-22(27-2)21(24)14-16/h3-6,14-15,17H,7-13H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 25: 293-304 (2017)


Article DOI: 10.1016/j.bmc.2016.10.034
BindingDB Entry DOI: 10.7270/Q2571F0B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50206753
PNG
(CHEMBL3940863)
Show SMILES COc1ccc(CCN2CCC(Cc3cc(OC)ccc3Br)CC2)c(Cl)c1
Show InChI InChI=1S/C22H27BrClNO2/c1-26-19-5-6-21(23)18(14-19)13-16-7-10-25(11-8-16)12-9-17-3-4-20(27-2)15-22(17)24/h3-6,14-16H,7-13H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 25: 293-304 (2017)


Article DOI: 10.1016/j.bmc.2016.10.034
BindingDB Entry DOI: 10.7270/Q2571F0B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50206775
PNG
(CHEMBL3982923)
Show SMILES COc1ccc(Br)c(CC2CCN(CCc3ccc(Cl)cc3)CC2)c1
Show InChI InChI=1S/C21H25BrClNO/c1-25-20-6-7-21(22)18(15-20)14-17-9-12-24(13-10-17)11-8-16-2-4-19(23)5-3-16/h2-7,15,17H,8-14H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 25: 293-304 (2017)


Article DOI: 10.1016/j.bmc.2016.10.034
BindingDB Entry DOI: 10.7270/Q2571F0B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50206772
PNG
(CHEMBL3942037)
Show SMILES COc1ccc(Br)c(CC2CCN(CCc3ccc(C)cc3)CC2)c1
Show InChI InChI=1S/C22H28BrNO/c1-17-3-5-18(6-4-17)9-12-24-13-10-19(11-14-24)15-20-16-21(25-2)7-8-22(20)23/h3-8,16,19H,9-15H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 25: 293-304 (2017)


Article DOI: 10.1016/j.bmc.2016.10.034
BindingDB Entry DOI: 10.7270/Q2571F0B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50206785
PNG
(CHEMBL3963429)
Show SMILES COc1ccc(Br)c(CC2CCN(CCc3ccc(OC)c(OC)c3)CC2)c1
Show InChI InChI=1S/C23H30BrNO3/c1-26-20-5-6-21(24)19(16-20)14-18-9-12-25(13-10-18)11-8-17-4-7-22(27-2)23(15-17)28-3/h4-7,15-16,18H,8-14H2,1-3H3
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1.60n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 25: 293-304 (2017)


Article DOI: 10.1016/j.bmc.2016.10.034
BindingDB Entry DOI: 10.7270/Q2571F0B
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50421096
PNG
(CHEMBL2088346)
Show SMILES CN(C(=O)Cn1c2cc(ccc2oc1=O)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H18N2O3/c1-23(18-10-6-3-7-11-18)21(25)15-24-19-14-17(16-8-4-2-5-9-16)12-13-20(19)27-22(24)26/h2-14H,15H2,1H3
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1.60n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis


Bioorg Med Chem 21: 1257-67 (2013)


Article DOI: 10.1016/j.bmc.2012.12.024
BindingDB Entry DOI: 10.7270/Q28053ZS
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50421096
PNG
(CHEMBL2088346)
Show SMILES CN(C(=O)Cn1c2cc(ccc2oc1=O)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H18N2O3/c1-23(18-10-6-3-7-11-18)21(25)15-24-19-14-17(16-8-4-2-5-9-16)12-13-20(19)27-22(24)26/h2-14H,15H2,1H3
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1.60n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
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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1.70n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis


Bioorg Med Chem 21: 1257-67 (2013)


Article DOI: 10.1016/j.bmc.2012.12.024
BindingDB Entry DOI: 10.7270/Q28053ZS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Translocator protein


(Rattus norvegicus (rat))
BDBM50429218
PNG
(CHEMBL2332257)
Show SMILES CCCN(CCC)C(=O)Cn1c2cc(cc3CCCn(c23)c1=O)-c1ccccc1
Show InChI InChI=1S/C24H29N3O2/c1-3-12-25(13-4-2)22(28)17-27-21-16-20(18-9-6-5-7-10-18)15-19-11-8-14-26(23(19)21)24(27)29/h5-7,9-10,15-16H,3-4,8,11-14,17H2,1-2H3
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1.70n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis


Bioorg Med Chem 21: 1257-67 (2013)


Article DOI: 10.1016/j.bmc.2012.12.024
BindingDB Entry DOI: 10.7270/Q28053ZS
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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1.70n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Translocator protein


(Rattus norvegicus (rat))
BDBM50421120
PNG
(CHEMBL2088540)
Show SMILES CN(C(=O)Cn1c2cc(ccc2oc1=O)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C21H17N3O3/c1-23(16-7-3-2-4-8-16)20(25)14-24-18-13-15(17-9-5-6-12-22-17)10-11-19(18)27-21(24)26/h2-13H,14H2,1H3
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1.80n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50421110
PNG
(CHEMBL2088368)
Show SMILES CN(C)Cc1ccccc1N(C)C(=O)Cn1c2cc(ccc2oc1=O)-c1ccccc1
Show InChI InChI=1S/C25H25N3O3/c1-26(2)16-20-11-7-8-12-21(20)27(3)24(29)17-28-22-15-19(18-9-5-4-6-10-18)13-14-23(22)31-25(28)30/h4-15H,16-17H2,1-3H3
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2n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50010859
PNG
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting method


Bioorg Med Chem 25: 293-304 (2017)


Article DOI: 10.1016/j.bmc.2016.10.034
BindingDB Entry DOI: 10.7270/Q2571F0B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50206763
PNG
(CHEMBL3912020)
Show SMILES COc1ccc(Br)c(CC2CCN(CCc3cc(OC)c(OC)cc3Cl)CC2)c1
Show InChI InChI=1S/C23H29BrClNO3/c1-27-19-4-5-20(24)18(13-19)12-16-6-9-26(10-7-16)11-8-17-14-22(28-2)23(29-3)15-21(17)25/h4-5,13-16H,6-12H2,1-3H3
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2n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 25: 293-304 (2017)


Article DOI: 10.1016/j.bmc.2016.10.034
BindingDB Entry DOI: 10.7270/Q2571F0B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50206757
PNG
(CHEMBL3921860)
Show SMILES COc1ccc(Br)c(CC2CCN(CCc3cccc4OCCOc34)CC2)c1
Show InChI InChI=1S/C23H28BrNO3/c1-26-20-5-6-21(24)19(16-20)15-17-7-10-25(11-8-17)12-9-18-3-2-4-22-23(18)28-14-13-27-22/h2-6,16-17H,7-15H2,1H3
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2.10n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 25: 293-304 (2017)


Article DOI: 10.1016/j.bmc.2016.10.034
BindingDB Entry DOI: 10.7270/Q2571F0B
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50429211
PNG
(CHEMBL2331871)
Show SMILES CN(C(=O)Cn1c2cc(cc3CCCn(c23)c1=O)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C24H22N4O2/c1-26(20-10-5-11-25-15-20)22(29)16-28-21-14-19(17-7-3-2-4-8-17)13-18-9-6-12-27(23(18)21)24(28)30/h2-5,7-8,10-11,13-15H,6,9,12,16H2,1H3
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2.10n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis


Bioorg Med Chem 21: 1257-67 (2013)


Article DOI: 10.1016/j.bmc.2012.12.024
BindingDB Entry DOI: 10.7270/Q28053ZS
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50421104
PNG
(CHEMBL2088362)
Show SMILES COc1ccc(cc1)N(C)C(=O)Cn1c2cc(ccc2oc1=O)-c1ccccc1
Show InChI InChI=1S/C23H20N2O4/c1-24(18-9-11-19(28-2)12-10-18)22(26)15-25-20-14-17(16-6-4-3-5-7-16)8-13-21(20)29-23(25)27/h3-14H,15H2,1-2H3
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2.20n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50206762
PNG
(CHEMBL3894524)
Show SMILES COc1ccc(Cl)c(CC2CCN(CCc3ccccc3)CC2)c1
Show InChI InChI=1S/C21H26ClNO/c1-24-20-7-8-21(22)19(16-20)15-18-10-13-23(14-11-18)12-9-17-5-3-2-4-6-17/h2-8,16,18H,9-15H2,1H3
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2.30n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 25: 293-304 (2017)


Article DOI: 10.1016/j.bmc.2016.10.034
BindingDB Entry DOI: 10.7270/Q2571F0B
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50429212
PNG
(CHEMBL2331870)
Show SMILES CN(C(=O)Cn1c2cc(cc3CCCn(c23)c1=O)-c1ccccc1)c1ccccn1
Show InChI InChI=1S/C24H22N4O2/c1-26(21-11-5-6-12-25-21)22(29)16-28-20-15-19(17-8-3-2-4-9-17)14-18-10-7-13-27(23(18)20)24(28)30/h2-6,8-9,11-12,14-15H,7,10,13,16H2,1H3
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2.5n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis


Bioorg Med Chem 21: 1257-67 (2013)


Article DOI: 10.1016/j.bmc.2012.12.024
BindingDB Entry DOI: 10.7270/Q28053ZS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50206764
PNG
(CHEMBL3913541)
Show SMILES COc1ccc(Br)c(CC2CCN(CCc3ccccc3)CC2)c1
Show InChI InChI=1S/C21H26BrNO/c1-24-20-7-8-21(22)19(16-20)15-18-10-13-23(14-11-18)12-9-17-5-3-2-4-6-17/h2-8,16,18H,9-15H2,1H3
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2.70n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 25: 293-304 (2017)


Article DOI: 10.1016/j.bmc.2016.10.034
BindingDB Entry DOI: 10.7270/Q2571F0B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50206776
PNG
(CHEMBL3896561)
Show SMILES COc1ccc(Br)c(CC2CCN(CCc3cccc(Cl)c3)CC2)c1
Show InChI InChI=1S/C21H25BrClNO/c1-25-20-5-6-21(22)18(15-20)13-17-8-11-24(12-9-17)10-7-16-3-2-4-19(23)14-16/h2-6,14-15,17H,7-13H2,1H3
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2.90n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 25: 293-304 (2017)


Article DOI: 10.1016/j.bmc.2016.10.034
BindingDB Entry DOI: 10.7270/Q2571F0B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50206774
PNG
(CHEMBL3924225)
Show SMILES COc1ccc(Br)c(CC2CCN(CCc3ccccc3OC)CC2)c1
Show InChI InChI=1S/C22H28BrNO2/c1-25-20-7-8-21(23)19(16-20)15-17-9-12-24(13-10-17)14-11-18-5-3-4-6-22(18)26-2/h3-8,16-17H,9-15H2,1-2H3
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3n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 25: 293-304 (2017)


Article DOI: 10.1016/j.bmc.2016.10.034
BindingDB Entry DOI: 10.7270/Q2571F0B
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50421122
PNG
(CHEMBL2088543)
Show SMILES CN(C(=O)Cn1c2cc(Oc3ccccc3)ccc2oc1=O)c1ccccc1
Show InChI InChI=1S/C22H18N2O4/c1-23(16-8-4-2-5-9-16)21(25)15-24-19-14-18(12-13-20(19)28-22(24)26)27-17-10-6-3-7-11-17/h2-14H,15H2,1H3
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3.80n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50206784
PNG
(CHEMBL3913057)
Show SMILES COc1ccc(Br)c(CC2CCN(CCc3ccccc3Cl)CC2)c1
Show InChI InChI=1S/C21H25BrClNO/c1-25-19-6-7-20(22)18(15-19)14-16-8-11-24(12-9-16)13-10-17-4-2-3-5-21(17)23/h2-7,15-16H,8-14H2,1H3
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4.10n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 25: 293-304 (2017)


Article DOI: 10.1016/j.bmc.2016.10.034
BindingDB Entry DOI: 10.7270/Q2571F0B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50206770
PNG
(CHEMBL3939995)
Show SMILES COc1ccc(Br)c(CC2CCN(CCc3cccc4ccccc34)CC2)c1
Show InChI InChI=1S/C25H28BrNO/c1-28-23-9-10-25(26)22(18-23)17-19-11-14-27(15-12-19)16-13-21-7-4-6-20-5-2-3-8-24(20)21/h2-10,18-19H,11-17H2,1H3
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4.80n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 25: 293-304 (2017)


Article DOI: 10.1016/j.bmc.2016.10.034
BindingDB Entry DOI: 10.7270/Q2571F0B
More data for this
Ligand-Target Pair
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