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Compile Data Set for Download or QSAR

Found 594 hits with Last Name = 'koyama' 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
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)
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
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
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))		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))		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
Coagulation factor X


(Homo sapiens (Human))		BDBM50273137
PNG
((3-{[(3-Carbamimidoyl-phenyl)-({4-[1-(1-imino-ethy...)
Show SMILES CC(=N)N1CCC(CC1)c1ccc(NC(=O)CN(Cc2cccc(OCC(O)=O)c2)c2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C31H36N6O4/c1-21(32)36-14-12-24(13-15-36)23-8-10-26(11-9-23)35-29(38)19-37(27-6-3-5-25(17-27)31(33)34)18-22-4-2-7-28(16-22)41-20-30(39)40/h2-11,16-17,24,32H,12-15,18-20H2,1H3,(H3,33,34)(H,35,38)(H,39,40)
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 1.73n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method

Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
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
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
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
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
Coagulation factor X


(Homo sapiens (Human))		BDBM50273136
PNG
(CHEMBL455932 | CHEMBL463179 | {4-[2-(5-Carbamimido...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)c(OCC(O)=O)c1
Show InChI InChI=1S/C24H25N3O8S2/c1-36(31,32)21-5-3-2-4-18(21)16-7-6-15(20(12-16)35-14-23(29)30)10-11-27-37(33,34)22-13-17(24(25)26)8-9-19(22)28/h2-9,12-13,27-28H,10-11,14H2,1H3,(H3,25,26)(H,29,30)
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 5n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method

Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50273299
PNG
(CHEMBL455933 | {4-[2-(5-Carbamimidoyl-2-hydroxy-be...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)c(NCC(O)=O)c1
Show InChI InChI=1S/C24H26N4O7S2/c1-36(32,33)21-5-3-2-4-18(21)16-7-6-15(19(12-16)27-14-23(30)31)10-11-28-37(34,35)22-13-17(24(25)26)8-9-20(22)29/h2-9,12-13,27-29H,10-11,14H2,1H3,(H3,25,26)(H,30,31)
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 5.70n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method

Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50206760
PNG
(CHEMBL3892582)
Show SMILES COc1ccc(F)c(CC2CCN(CCc3ccccc3)CC2)c1
Show InChI InChI=1S/C21H26FNO/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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 6n/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))		BDBM50206777
PNG
(CHEMBL3942269)
Show SMILES COc1ccc(Br)c(CC2CCN(CCc3cc4OCCOc4cc3Cl)CC2)c1
Show InChI InChI=1S/C23H27BrClNO3/c1-27-19-2-3-20(24)18(13-19)12-16-4-7-26(8-5-16)9-6-17-14-22-23(15-21(17)25)29-11-10-28-22/h2-3,13-16H,4-12H2,1H3
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 6.5n/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))		BDBM50206765
PNG
(CHEMBL3906576)
Show SMILES Cl.COCCOc1ccc(Br)c(CC2CCN(CCc3cc4OCCOc4cc3Cl)CC2)c1
Show InChI InChI=1S/C25H31BrClNO4/c1-29-10-11-30-21-2-3-22(26)20(15-21)14-18-4-7-28(8-5-18)9-6-19-16-24-25(17-23(19)27)32-13-12-31-24/h2-3,15-18H,4-14H2,1H3
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 9.40n/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
Coagulation factor X


(Homo sapiens (Human))		BDBM50273297
PNG
(CHEMBL459136 | N-{2-[2-(5-Carbamimidoyl-2-hydroxy-...)
Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)c(NC(=O)C(O)=O)c1
Show InChI InChI=1S/C20H24N4O6S/c1-11(2)13-4-3-12(15(9-13)24-19(26)20(27)28)7-8-23-31(29,30)17-10-14(18(21)22)5-6-16(17)25/h3-6,9-11,23,25H,7-8H2,1-2H3,(H3,21,22)(H,24,26)(H,27,28)
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 9.70n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method

Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50206777
PNG
(CHEMBL3942269)
Show SMILES COc1ccc(Br)c(CC2CCN(CCc3cc4OCCOc4cc3Cl)CC2)c1
Show InChI InChI=1S/C23H27BrClNO3/c1-27-19-2-3-20(24)18(13-19)12-16-4-7-26(8-5-16)9-6-17-14-22-23(15-21(17)25)29-11-10-28-22/h2-3,13-16H,4-12H2,1H3
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 12n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in CHO cell membranes assessed as reduction in [3H]serotonin uptake preincubated for 10 mins followed by [3H]serot...

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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50206758
PNG
(CHEMBL3898537)
Show SMILES CC(C)Oc1ccc(Br)c(CC2CCN(CCc3cc4OCCOc4cc3Cl)CC2)c1
Show InChI InChI=1S/C25H31BrClNO3/c1-17(2)31-21-3-4-22(26)20(14-21)13-18-5-8-28(9-6-18)10-7-19-15-24-25(16-23(19)27)30-12-11-29-24/h3-4,14-18H,5-13H2,1-2H3
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 14n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in CHO cell membranes assessed as reduction in [3H]serotonin uptake preincubated for 10 mins followed by [3H]serot...

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
Sodium-dependent serotonin transporter


(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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 14n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in CHO cell membranes assessed as reduction in [3H]serotonin uptake preincubated for 10 mins followed by [3H]serot...

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
Coagulation factor X


(Homo sapiens (Human))		BDBM50273229
PNG
(CHEMBL455916 | {(5-Carbamimidoyl-2-hydroxy-benzene...)
Show SMILES CC(C)c1ccc(CCN(CC(O)=O)S(=O)(=O)c2cc(ccc2O)C(N)=N)cc1
Show InChI InChI=1S/C20H25N3O5S/c1-13(2)15-5-3-14(4-6-15)9-10-23(12-19(25)26)29(27,28)18-11-16(20(21)22)7-8-17(18)24/h3-8,11,13,24H,9-10,12H2,1-2H3,(H3,21,22)(H,25,26)
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 14n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method

Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50206758
PNG
(CHEMBL3898537)
Show SMILES CC(C)Oc1ccc(Br)c(CC2CCN(CCc3cc4OCCOc4cc3Cl)CC2)c1
Show InChI InChI=1S/C25H31BrClNO3/c1-17(2)31-21-3-4-22(26)20(14-21)13-18-5-8-28(9-6-18)10-7-19-15-24-25(16-23(19)27)30-12-11-29-24/h3-4,14-18H,5-13H2,1-2H3
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 16n/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
Sodium-dependent serotonin transporter


(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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 19n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in CHO cell membranes assessed as reduction in [3H]serotonin uptake preincubated for 10 mins followed by [3H]serot...

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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50206754
PNG
(CHEMBL3969352)
Show SMILES CCOc1ccc(Br)c(CC2CCN(CCc3cc4OCCOc4cc3Cl)CC2)c1
Show InChI InChI=1S/C24H29BrClNO3/c1-2-28-20-3-4-21(25)19(14-20)13-17-5-8-27(9-6-17)10-7-18-15-23-24(16-22(18)26)30-12-11-29-23/h3-4,14-17H,2,5-13H2,1H3
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 19n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in CHO cell membranes assessed as reduction in [3H]serotonin uptake preincubated for 10 mins followed by [3H]serot...

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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM86420
PNG
(CAS_92623-85-3 | Milnacipran | NSC_0)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)c1ccccc1 |r|
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m1/s1
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 22n/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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50206754
PNG
(CHEMBL3969352)
Show SMILES CCOc1ccc(Br)c(CC2CCN(CCc3cc4OCCOc4cc3Cl)CC2)c1
Show InChI InChI=1S/C24H29BrClNO3/c1-2-28-20-3-4-21(25)19(14-20)13-17-5-8-27(9-6-17)10-7-18-15-23-24(16-22(18)26)30-12-11-29-23/h3-4,14-17H,2,5-13H2,1H3
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 23n/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
Sodium-dependent serotonin transporter


(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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 26n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in CHO cell membranes assessed as reduction in [3H]serotonin uptake preincubated for 10 mins followed by [3H]serot...

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
Sodium-dependent serotonin transporter


(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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 26n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in CHO cell membranes assessed as reduction in [3H]serotonin uptake preincubated for 10 mins followed by [3H]serot...

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
Sodium-dependent serotonin transporter


(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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 27n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in CHO cell membranes assessed as reduction in [3H]serotonin uptake preincubated for 10 mins followed by [3H]serot...

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
Coagulation factor X


(Homo sapiens (Human))		BDBM50273188
PNG
(3-[2-(4-tert-Butyl-phenyl)-ethylsulfamoyl]-4-hydro...)
Show SMILES CC(C)(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)cc1
Show InChI InChI=1S/C19H25N3O3S/c1-19(2,3)15-7-4-13(5-8-15)10-11-22-26(24,25)17-12-14(18(20)21)6-9-16(17)23/h4-9,12,22-23H,10-11H2,1-3H3,(H3,20,21)
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 27n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method

Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(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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 28n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in CHO cell membranes assessed as reduction in [3H]serotonin uptake preincubated for 10 mins followed by [3H]serot...

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
Coagulation factor X


(Homo sapiens (Human))		BDBM50273138
PNG
(4-Hydroxy-3-[2-(4-isopropyl-phenyl)-ethylsulfamoyl...)
Show SMILES CC(C)c1ccc(CCNS(=O)(=O)c2cc(ccc2O)C(N)=N)cc1
Show InChI InChI=1S/C18H23N3O3S/c1-12(2)14-5-3-13(4-6-14)9-10-21-25(23,24)17-11-15(18(19)20)7-8-16(17)22/h3-8,11-12,21-22H,9-10H2,1-2H3,(H3,19,20)
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 29n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method

Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50206769
PNG
(CHEMBL3966886)
Show SMILES COc1cccc(CC2CCN(CCc3ccccc3)CC2)c1
Show InChI InChI=1S/C21H27NO/c1-23-21-9-5-8-20(17-21)16-19-11-14-22(15-12-19)13-10-18-6-3-2-4-7-18/h2-9,17,19H,10-16H2,1H3
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 29n/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
Sodium-dependent serotonin transporter


(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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 31n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in CHO cell membranes assessed as reduction in [3H]serotonin uptake preincubated for 10 mins followed by [3H]serot...

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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50206765
PNG
(CHEMBL3906576)
Show SMILES Cl.COCCOc1ccc(Br)c(CC2CCN(CCc3cc4OCCOc4cc3Cl)CC2)c1
Show InChI InChI=1S/C25H31BrClNO4/c1-29-10-11-30-21-2-3-22(26)20(15-21)14-18-4-7-28(8-5-18)9-6-19-16-24-25(17-23(19)27)32-13-12-31-24/h2-3,15-18H,4-14H2,1H3
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 33n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in CHO cell membranes assessed as reduction in [3H]serotonin uptake preincubated for 10 mins followed by [3H]serot...

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
Sodium-dependent serotonin transporter


(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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 38n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in CHO cell membranes assessed as reduction in [3H]serotonin uptake preincubated for 10 mins followed by [3H]serot...

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
Sodium-dependent serotonin transporter


(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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 38n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in CHO cell membranes assessed as reduction in [3H]serotonin uptake preincubated for 10 mins followed by [3H]serot...

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
Sodium-dependent serotonin transporter


(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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 38n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in CHO cell membranes assessed as reduction in [3H]serotonin uptake preincubated for 10 mins followed by [3H]serot...

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
Sodium-dependent serotonin transporter


(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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 39n/an/an/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in CHO cell membranes assessed as reduction in [3H]serotonin uptake preincubated for 10 mins followed by [3H]serot...

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
Coagulation factor X


(Homo sapiens (Human))		BDBM17283
PNG
((2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-(4-{[(3S...)
Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O |r|
Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24-/m0/s1
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 41n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of factor 10a in human plasma

Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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