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Compile Data Set for Download or QSAR

Found 751 hits from Dainippon Sumitomo Pharma Co., Ltd   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50351401
PNG
(CHEMBL1819091)
Show SMILES CC[C@@]1(N)CCCN(C1)c1cc2n(C)c(=O)n(C)c(=O)c2n1Cc1cc(F)ccc1C#N
Show InChI InChI=1/C23H27FN6O2/c1-4-23(26)8-5-9-29(14-23)19-11-18-20(21(31)28(3)22(32)27(18)2)30(19)13-16-10-17(24)7-6-15(16)12-25/h6-7,10-11H,4-5,8-9,13-14,26H2,1-3H3/t23-/s2
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0.0220n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes pre-incubated for 15 mins by LC/MS/MS analysis


Bioorg Med Chem 19: 5490-9 (2011)


Article DOI: 10.1016/j.bmc.2011.07.042
BindingDB Entry DOI: 10.7270/Q2T72HT6
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50351399
PNG
(CHEMBL1819089)
Show SMILES Cn1c2cc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O
Show InChI InChI=1/C21H23FN6O2/c1-25-17-9-18(27-7-3-4-16(24)12-27)28(19(17)20(29)26(2)21(25)30)11-14-8-15(22)6-5-13(14)10-23/h5-6,8-9,16H,3-4,7,11-12,24H2,1-2H3/t16-/s2
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0.0260n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes pre-incubated for 15 mins by LC/MS/MS analysis


Bioorg Med Chem 19: 5490-9 (2011)


Article DOI: 10.1016/j.bmc.2011.07.042
BindingDB Entry DOI: 10.7270/Q2T72HT6
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(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
Peripheral-Type Benzodiazepine Receptor


(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
Peripheral-Type Benzodiazepine Receptor


(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
Peripheral-Type Benzodiazepine Receptor


(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
Peripheral-Type Benzodiazepine Receptor


(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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM126698
PNG
(US8778970, 5-6)
Show SMILES COCCOc1cc(CC2CCN(CCc3ccc4occc(=O)c4c3)CC2)ccc1Br
Show InChI InChI=1S/C26H30BrNO4.ClH/c1-30-14-15-32-26-18-21(2-4-23(26)27)16-20-7-11-28(12-8-20)10-6-19-3-5-25-22(17-19)24(29)9-13-31-25;/h2-5,9,13,17-18,20H,6-8,10-12,14-16H2,1H3;1H
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US Patent
0.270 -13.0n/an/an/an/an/an/a25



Dainippon Sumitomo Pharma Co., Ltd

US Patent


Assay Description
[3H] citalopram binding was assayed according to the method of Owens et al. [Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997)]. Specif...


US Patent US8778970 (2014)


BindingDB Entry DOI: 10.7270/Q2N878GH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM126701
PNG
(US8778970, 5-9)
Show SMILES Oc1cc(CC2CCN(CCc3ccc4occc(=O)c4c3)CC2)ccc1Br
Show InChI InChI=1S/C23H24BrNO3/c24-20-3-1-18(15-22(20)27)13-17-6-10-25(11-7-17)9-5-16-2-4-23-19(14-16)21(26)8-12-28-23/h1-4,8,12,14-15,17,27H,5-7,9-11,13H2
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US Patent
0.270 -13.0n/an/an/an/an/an/a25



Dainippon Sumitomo Pharma Co., Ltd

US Patent


Assay Description
The experiment was carried out according to the method of Yabuuchi et al. [Yabuuchi K. et al., Biogenic Amines, 18, 319-328 (2004)]. 50 ul of [3H] 8-...


US Patent US8778970 (2014)


BindingDB Entry DOI: 10.7270/Q2N878GH
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(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
Peripheral-Type Benzodiazepine Receptor


(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
Peripheral-Type Benzodiazepine Receptor


(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
Peripheral-Type Benzodiazepine Receptor


(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
Peripheral-Type Benzodiazepine Receptor


(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
Peripheral-Type Benzodiazepine Receptor


(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
Peripheral-Type Benzodiazepine Receptor


(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
Peripheral-Type Benzodiazepine Receptor


(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
Peripheral-Type Benzodiazepine Receptor


(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
Peripheral-Type Benzodiazepine Receptor


(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
Peripheral-Type Benzodiazepine Receptor


(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
Peripheral-Type Benzodiazepine Receptor


(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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM126709
PNG
(US8778970, 5-14)
Show SMILES COCCOc1cc(CC2CCN(CCc3ccc4occ(O)c(=O)c4c3)CC2)ccc1Br
Show InChI InChI=1S/C26H30BrNO5/c1-31-12-13-32-25-16-20(2-4-22(25)27)14-19-7-10-28(11-8-19)9-6-18-3-5-24-21(15-18)26(30)23(29)17-33-24/h2-5,15-17,19,29H,6-14H2,1H3
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0.880 -12.3n/an/an/an/an/an/a25



Dainippon Sumitomo Pharma Co., Ltd

US Patent


Assay Description
[3H] citalopram binding was assayed according to the method of Owens et al. [Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997)]. Specif...


US Patent US8778970 (2014)


BindingDB Entry DOI: 10.7270/Q2N878GH
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(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
Peripheral-Type Benzodiazepine Receptor


(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))
BDBM126697
PNG
(US8778970, 5-5)
Show SMILES OC1COc2ccc(CCN3CCC(Cc4ccc(Br)c(O)c4)CC3)cc2C1=O
Show InChI InChI=1/C23H26BrNO4/c24-19-3-1-17(13-20(19)26)11-16-6-9-25(10-7-16)8-5-15-2-4-22-18(12-15)23(28)21(27)14-29-22/h1-4,12-13,16,21,26-27H,5-11,14H2
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1.10 -12.2n/an/an/an/an/an/a25



Dainippon Sumitomo Pharma Co., Ltd

US Patent


Assay Description
The experiment was carried out according to the method of Yabuuchi et al. [Yabuuchi K. et al., Biogenic Amines, 18, 319-328 (2004)]. 50 ul of [3H] 8-...


US Patent US8778970 (2014)


BindingDB Entry DOI: 10.7270/Q2N878GH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM126702
PNG
(US8778970, 5-10)
Show SMILES COCCOc1cc(CC2CCN(CCc3ccc4OC(O)CC(=O)c4c3)CC2)ccc1Br
Show InChI InChI=1/C26H32BrNO5/c1-31-12-13-32-25-16-20(2-4-22(25)27)14-19-7-10-28(11-8-19)9-6-18-3-5-24-21(15-18)23(29)17-26(30)33-24/h2-5,15-16,19,26,30H,6-14,17H2,1H3
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1.30 -12.1n/an/an/an/an/an/a25



Dainippon Sumitomo Pharma Co., Ltd

US Patent


Assay Description
[3H] citalopram binding was assayed according to the method of Owens et al. [Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997)]. Specif...


US Patent US8778970 (2014)


BindingDB Entry DOI: 10.7270/Q2N878GH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM126700
PNG
(US8778970, 5-8)
Show SMILES Oc1cc(CC2CCN(CCc3ccc4OCCC(=O)c4c3)CC2)ccc1Br
Show InChI InChI=1S/C23H26BrNO3/c24-20-3-1-18(15-22(20)27)13-17-6-10-25(11-7-17)9-5-16-2-4-23-19(14-16)21(26)8-12-28-23/h1-4,14-15,17,27H,5-13H2
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1.30 -12.1n/an/an/an/an/an/a25



Dainippon Sumitomo Pharma Co., Ltd

US Patent


Assay Description
The experiment was carried out according to the method of Yabuuchi et al. [Yabuuchi K. et al., Biogenic Amines, 18, 319-328 (2004)]. 50 ul of [3H] 8-...


US Patent US8778970 (2014)


BindingDB Entry DOI: 10.7270/Q2N878GH
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(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
Peripheral-Type Benzodiazepine Receptor


(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
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=1/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)
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM126701
PNG
(US8778970, 5-9)
Show SMILES Oc1cc(CC2CCN(CCc3ccc4occc(=O)c4c3)CC2)ccc1Br
Show InChI InChI=1S/C23H24BrNO3/c24-20-3-1-18(15-22(20)27)13-17-6-10-25(11-7-17)9-5-16-2-4-23-19(14-16)21(26)8-12-28-23/h1-4,8,12,14-15,17,27H,5-7,9-11,13H2
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US Patent
1.70 -12.0n/an/an/an/an/an/a25



Dainippon Sumitomo Pharma Co., Ltd

US Patent


Assay Description
[3H] citalopram binding was assayed according to the method of Owens et al. [Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997)]. Specif...


US Patent US8778970 (2014)


BindingDB Entry DOI: 10.7270/Q2N878GH
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(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
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=1/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)
Peripheral-Type Benzodiazepine Receptor


(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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM126698
PNG
(US8778970, 5-6)
Show SMILES COCCOc1cc(CC2CCN(CCc3ccc4occc(=O)c4c3)CC2)ccc1Br
Show InChI InChI=1S/C26H30BrNO4.ClH/c1-30-14-15-32-26-18-21(2-4-23(26)27)16-20-7-11-28(12-8-20)10-6-19-3-5-25-22(17-19)24(29)9-13-31-25;/h2-5,9,13,17-18,20H,6-8,10-12,14-16H2,1H3;1H
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2 -11.9n/an/an/an/an/an/a25



Dainippon Sumitomo Pharma Co., Ltd

US Patent


Assay Description
The experiment was carried out according to the method of Yabuuchi et al. [Yabuuchi K. et al., Biogenic Amines, 18, 319-328 (2004)]. 50 ul of [3H] 8-...


US Patent US8778970 (2014)


BindingDB Entry DOI: 10.7270/Q2N878GH
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM126699
PNG
(US8778970, 5-7)
Show SMILES OCCOc1cc(CC2CCN(CCc3ccc4occc(=O)c4c3)CC2)ccc1Br
Show InChI InChI=1S/C25H28BrNO4.ClH/c26-22-3-1-20(17-25(22)31-14-12-28)15-19-6-10-27(11-7-19)9-5-18-2-4-24-21(16-18)23(29)8-13-30-24;/h1-4,8,13,16-17,19,28H,5-7,9-12,14-15H2;1H
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US Patent
2.10 -11.8n/an/an/an/an/an/a25



Dainippon Sumitomo Pharma Co., Ltd

US Patent


Assay Description
The experiment was carried out according to the method of Yabuuchi et al. [Yabuuchi K. et al., Biogenic Amines, 18, 319-328 (2004)]. 50 ul of [3H] 8-...


US Patent US8778970 (2014)


BindingDB Entry DOI: 10.7270/Q2N878GH
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM126703
PNG
(US8778970, 5-11)
Show SMILES COCCOc1cc(CC2CCN(CC(O)c3ccc4OCCC(=O)c4c3)CC2)ccc1Br
Show InChI InChI=1/C26H32BrNO5.ClH/c1-31-12-13-33-26-15-19(2-4-22(26)27)14-18-6-9-28(10-7-18)17-24(30)20-3-5-25-21(16-20)23(29)8-11-32-25;/h2-5,15-16,18,24,30H,6-14,17H2,1H3;1H
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2.20 -11.8n/an/an/an/an/an/a25



Dainippon Sumitomo Pharma Co., Ltd

US Patent


Assay Description
[3H] citalopram binding was assayed according to the method of Owens et al. [Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997)]. Specif...


US Patent US8778970 (2014)


BindingDB Entry DOI: 10.7270/Q2N878GH
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(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
Peripheral-Type Benzodiazepine Receptor


(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))
BDBM126709
PNG
(US8778970, 5-14)
Show SMILES COCCOc1cc(CC2CCN(CCc3ccc4occ(O)c(=O)c4c3)CC2)ccc1Br
Show InChI InChI=1S/C26H30BrNO5/c1-31-12-13-32-25-16-20(2-4-22(25)27)14-19-7-10-28(11-8-19)9-6-18-3-5-24-21(15-18)26(30)23(29)17-33-24/h2-5,15-17,19,29H,6-14H2,1H3
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US Patent
2.5 -11.7n/an/an/an/an/an/a25



Dainippon Sumitomo Pharma Co., Ltd

US Patent


Assay Description
The experiment was carried out according to the method of Yabuuchi et al. [Yabuuchi K. et al., Biogenic Amines, 18, 319-328 (2004)]. 50 ul of [3H] 8-...


US Patent US8778970 (2014)


BindingDB Entry DOI: 10.7270/Q2N878GH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM126695
PNG
(US8778970, 5-3)
Show SMILES COCCOc1cc(CC2CCN(CCc3ccc4OCC(O)C(=O)c4c3)CC2)ccc1Br
Show InChI InChI=1/C26H32BrNO5.ClH/c1-31-12-13-32-25-16-20(2-4-22(25)27)14-19-7-10-28(11-8-19)9-6-18-3-5-24-21(15-18)26(30)23(29)17-33-24;/h2-5,15-16,19,23,29H,6-14,17H2,1H3;1H
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2.70 -11.7n/an/an/an/an/an/a25



Dainippon Sumitomo Pharma Co., Ltd

US Patent


Assay Description
[3H] citalopram binding was assayed according to the method of Owens et al. [Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997)]. Specif...


US Patent US8778970 (2014)


BindingDB Entry DOI: 10.7270/Q2N878GH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11695
PNG
((2S)-1-{2-[(3-hydroxyadamantan-1-yl)amino]acetyl}p...)
Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/s2
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3n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM126699
PNG
(US8778970, 5-7)
Show SMILES OCCOc1cc(CC2CCN(CCc3ccc4occc(=O)c4c3)CC2)ccc1Br
Show InChI InChI=1S/C25H28BrNO4.ClH/c26-22-3-1-20(17-25(22)31-14-12-28)15-19-6-10-27(11-7-19)9-5-18-2-4-24-21(16-18)23(29)8-13-30-24;/h1-4,8,13,16-17,19,28H,5-7,9-12,14-15H2;1H
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3.5 -11.5n/an/an/an/an/an/a25



Dainippon Sumitomo Pharma Co., Ltd

US Patent


Assay Description
[3H] citalopram binding was assayed according to the method of Owens et al. [Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997)]. Specif...


US Patent US8778970 (2014)


BindingDB Entry DOI: 10.7270/Q2N878GH
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM126693
PNG
(US8778970, 5-1 | US8778970, 5-12 | US8778970, 5-13)
Show SMILES COCCOc1cc(CC2CCN(CCc3ccc4OCCC(O)c4c3)CC2)ccc1Br
Show InChI InChI=1/C26H34BrNO4.C6H6O2S/c1-30-14-15-32-26-18-21(2-4-23(26)27)16-20-7-11-28(12-8-20)10-6-19-3-5-25-22(17-19)24(29)9-13-31-25;7-9(8)6-4-2-1-3-5-6/h2-5,17-18,20,24,29H,6-16H2,1H3;1-5,9H
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4.60 -11.4n/an/an/an/an/an/a25



Dainippon Sumitomo Pharma Co., Ltd

US Patent


Assay Description
[3H] citalopram binding was assayed according to the method of Owens et al. [Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997)]. Specif...


US Patent US8778970 (2014)


BindingDB Entry DOI: 10.7270/Q2N878GH
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50421121
PNG
(CHEMBL2088542)
Show SMILES CN(C(=O)Cn1c2cc(ccc2oc1=O)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C21H17N3O3/c1-23(17-5-3-2-4-6-17)20(25)14-24-18-13-16(15-9-11-22-12-10-15)7-8-19(18)27-21(24)26/h2-13H,14H2,1H3
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5.30n/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))
BDBM126696
PNG
(US8778970, 5-4)
Show SMILES OCCOc1cc(CC2CCN(CCc3ccc4OCC(O)C(=O)c4c3)CC2)ccc1Br
Show InChI InChI=1/C25H30BrNO5/c26-21-3-1-19(15-24(21)31-12-11-28)13-18-6-9-27(10-7-18)8-5-17-2-4-23-20(14-17)25(30)22(29)16-32-23/h1-4,14-15,18,22,28-29H,5-13,16H2
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5.5 -11.3n/an/an/an/an/an/a25



Dainippon Sumitomo Pharma Co., Ltd

US Patent


Assay Description
The experiment was carried out according to the method of Yabuuchi et al. [Yabuuchi K. et al., Biogenic Amines, 18, 319-328 (2004)]. 50 ul of [3H] 8-...


US Patent US8778970 (2014)


BindingDB Entry DOI: 10.7270/Q2N878GH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM126693
PNG
(US8778970, 5-1 | US8778970, 5-12 | US8778970, 5-13)
Show SMILES COCCOc1cc(CC2CCN(CCc3ccc4OCCC(O)c4c3)CC2)ccc1Br
Show InChI InChI=1/C26H34BrNO4.C6H6O2S/c1-30-14-15-32-26-18-21(2-4-23(26)27)16-20-7-11-28(12-8-20)10-6-19-3-5-25-22(17-19)24(29)9-13-31-25;7-9(8)6-4-2-1-3-5-6/h2-5,17-18,20,24,29H,6-16H2,1H3;1-5,9H
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6.30 -11.2n/an/an/an/an/an/a25



Dainippon Sumitomo Pharma Co., Ltd

US Patent


Assay Description
[3H] citalopram binding was assayed according to the method of Owens et al. [Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997)]. Specif...


US Patent US8778970 (2014)


BindingDB Entry DOI: 10.7270/Q2N878GH
More data for this
Ligand-Target Pair
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