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Compile Data Set for Download or QSAR

Found 258 hits with Last Name = 'chodkowski' and Initial = 'a'   
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM194780
PNG
(7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...)
Show SMILES O=c1ccc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1
Show InChI InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)
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0.120n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111736
BindingDB Entry DOI: 10.7270/Q2W0996H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50279520
PNG
(2-{4-[4-(1H-Indol-3-yl)-piperidin-1-yl]-butyl}-4-p...)
Show SMILES Cc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O
Show InChI InChI=1S/C32H34N4O2/c1-23-11-13-25(14-12-23)30-29-10-4-5-18-35(29)32(38)36(31(30)37)19-7-6-17-34-20-15-24(16-21-34)27-22-33-28-9-3-2-8-26(27)28/h2-5,8-14,18,22,24,33H,6-7,15-17,19-21H2,1H3
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0.300n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from 5HTT in rat brain membranes


Eur J Med Chem 44: 1710-7 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.021
BindingDB Entry DOI: 10.7270/Q22N5249
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM194780
PNG
(7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...)
Show SMILES O=c1ccc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1
Show InChI InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)
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0.300n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2L receptor expressed in HEK293 cells incubated for 1 hr by liquid scintillation counting method


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111736
BindingDB Entry DOI: 10.7270/Q2W0996H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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0.340n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2L receptor expressed in HEK293 cells incubated for 1 hr by liquid scintillation counting method


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111736
BindingDB Entry DOI: 10.7270/Q2W0996H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM194780
PNG
(7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...)
Show SMILES O=c1ccc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1
Show InChI InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)
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0.398n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2BR (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111736
BindingDB Entry DOI: 10.7270/Q2W0996H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM194780
PNG
(7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...)
Show SMILES O=c1ccc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1
Show InChI InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)
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0.470n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ketanserin from human 5-HT2A receptor expressed in rat cortex tissue incubated for 30 mins by liquid scintillation counting meth...


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111736
BindingDB Entry DOI: 10.7270/Q2W0996H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50443101
PNG
(Cariprazine | RGH-188)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:6.5,wD:9.9,(-.77,5.69,;.57,4.92,;1.9,5.69,;.57,3.38,;-.77,2.61,;1.9,2.61,;1.9,1.07,;3.23,.3,;3.23,-1.24,;1.9,-2.01,;1.9,-3.55,;3.23,-4.32,;3.23,-5.86,;4.57,-6.63,;4.57,-8.17,;3.23,-8.94,;1.9,-8.17,;1.9,-6.63,;3.23,-10.48,;4.57,-11.25,;4.57,-12.79,;3.23,-13.56,;1.9,-12.79,;.57,-13.56,;1.9,-11.25,;.57,-10.48,;.57,-1.24,;.57,.3,)|
Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17-
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0.490n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2L receptor expressed in HEK293 cells incubated for 1 hr by liquid scintillation counting method


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111736
BindingDB Entry DOI: 10.7270/Q2W0996H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM85222
PNG
(CAS_441351-20-8 | Lurasidone | SM 13496)
Show SMILES O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C28H36N4O2S/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2/t18-,19+,20-,21-,24+,25-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK293 cells incubated for 1 hr by liquid scintillation counting method


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111736
BindingDB Entry DOI: 10.7270/Q2W0996H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50279541
PNG
(2-(4-(4-(1H-indol-3-yl)piperidin-1-yl)butyl)-4-(2-...)
Show SMILES Fc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O |(-3.9,-32.75,;-5.23,-31.98,;-5.23,-30.44,;-6.57,-29.67,;-7.91,-30.46,;-7.9,-31.99,;-6.57,-32.75,;-6.56,-34.29,;-7.89,-35.07,;-9.23,-34.29,;-10.57,-35.07,;-10.57,-36.62,;-9.23,-37.39,;-7.89,-36.62,;-6.55,-37.39,;-6.55,-38.93,;-5.21,-36.61,;-3.88,-37.38,;-2.54,-36.61,;-1.21,-37.38,;.12,-36.61,;1.46,-37.38,;1.45,-38.93,;2.78,-39.7,;4.11,-38.94,;4.12,-37.39,;2.78,-36.61,;5.45,-39.71,;5.61,-41.24,;7.11,-41.56,;7.88,-40.23,;9.39,-39.92,;9.87,-38.46,;8.83,-37.31,;7.33,-37.63,;6.86,-39.08,;-5.21,-35.06,;-3.88,-34.29,)|
Show InChI InChI=1S/C31H31FN4O2/c32-26-11-3-1-10-24(26)29-28-13-5-6-17-35(28)31(38)36(30(29)37)18-8-7-16-34-19-14-22(15-20-34)25-21-33-27-12-4-2-9-23(25)27/h1-6,9-13,17,21-22,33H,7-8,14-16,18-20H2
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0.700n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from 5HTT in rat brain membranes


Eur J Med Chem 44: 1710-7 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.021
BindingDB Entry DOI: 10.7270/Q22N5249
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM30708
PNG
((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...)
Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |c:24|
Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1
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0.794n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2CR (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111736
BindingDB Entry DOI: 10.7270/Q2W0996H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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1.70n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111736
BindingDB Entry DOI: 10.7270/Q2W0996H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM85222
PNG
(CAS_441351-20-8 | Lurasidone | SM 13496)
Show SMILES O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C28H36N4O2S/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2/t18-,19+,20-,21-,24+,25-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2L receptor expressed in HEK293 cells incubated for 1 hr by liquid scintillation counting method


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111736
BindingDB Entry DOI: 10.7270/Q2W0996H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM30708
PNG
((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...)
Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |c:24|
Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2BR (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111736
BindingDB Entry DOI: 10.7270/Q2W0996H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50151982
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)
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1.90n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-imipramine from human serotonin transporter expressed in HEK293 cells membranes incubated for 30 mins by microbeta scintillation...


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111736
BindingDB Entry DOI: 10.7270/Q2W0996H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM85222
PNG
(CAS_441351-20-8 | Lurasidone | SM 13496)
Show SMILES O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C28H36N4O2S/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2/t18-,19+,20-,21-,24+,25-/m0/s1
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2n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ketanserin from human 5-HT2A receptor expressed in rat cortex tissue incubated for 30 mins by liquid scintillation counting meth...


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111736
BindingDB Entry DOI: 10.7270/Q2W0996H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50504436
PNG
(CHEMBL4591440)
Show SMILES COc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccc(OC)cc45)C3=O)c2c1
Show InChI InChI=1S/C31H36N4O4/c1-38-21-5-7-28-23(15-21)26(18-32-28)20-9-13-34(14-10-20)11-3-4-12-35-30(36)17-25(31(35)37)27-19-33-29-8-6-22(39-2)16-24(27)29/h5-8,15-16,18-20,25,32-33H,3-4,9-14,17H2,1-2H3
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2.30n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111736
BindingDB Entry DOI: 10.7270/Q2W0996H
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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2.5n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-imipramine from human serotonin transporter expressed in HEK293 cells membranes incubated for 30 mins by microbeta scintillation...


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111736
BindingDB Entry DOI: 10.7270/Q2W0996H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50443101
PNG
(Cariprazine | RGH-188)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:6.5,wD:9.9,(-.77,5.69,;.57,4.92,;1.9,5.69,;.57,3.38,;-.77,2.61,;1.9,2.61,;1.9,1.07,;3.23,.3,;3.23,-1.24,;1.9,-2.01,;1.9,-3.55,;3.23,-4.32,;3.23,-5.86,;4.57,-6.63,;4.57,-8.17,;3.23,-8.94,;1.9,-8.17,;1.9,-6.63,;3.23,-10.48,;4.57,-11.25,;4.57,-12.79,;3.23,-13.56,;1.9,-12.79,;.57,-13.56,;1.9,-11.25,;.57,-10.48,;.57,-1.24,;.57,.3,)|
Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17-
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2.60n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111736
BindingDB Entry DOI: 10.7270/Q2W0996H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50504435
PNG
(CHEMBL4454176)
Show SMILES COc1ccc2[nH]cc(C3CCN(CCCCN4C(=O)CC(C4=O)c4c[nH]c5ccc(F)cc45)CC3)c2c1
Show InChI InChI=1S/C30H33FN4O3/c1-38-21-5-7-28-23(15-21)25(17-32-28)19-8-12-34(13-9-19)10-2-3-11-35-29(36)16-24(30(35)37)26-18-33-27-6-4-20(31)14-22(26)27/h4-7,14-15,17-19,24,32-33H,2-3,8-13,16H2,1H3
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3.20n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111736
BindingDB Entry DOI: 10.7270/Q2W0996H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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3.40n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ketanserin from human 5-HT2A receptor expressed in rat cortex tissue incubated for 30 mins by liquid scintillation counting meth...


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111736
BindingDB Entry DOI: 10.7270/Q2W0996H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM194780
PNG
(7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butox...)
Show SMILES O=c1ccc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1
Show InChI InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)
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3.70n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK293 cells incubated for 1 hr by liquid scintillation counting method


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111736
BindingDB Entry DOI: 10.7270/Q2W0996H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50062156
PNG
(CHEMBL3397081)
Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCCCn4c(=O)c(-c5ccccc5F)c5ccccn5c4=O)CC3)c2c1 |t:8,(17.11,-.26,;16.72,-1.43,;17.74,-2.57,;17.26,-4.06,;15.74,-4.35,;14.96,-5.67,;13.48,-5.36,;13.34,-3.84,;12,-3.07,;12,-1.53,;10.67,-.76,;9.34,-1.53,;8,-.76,;6.67,-1.53,;5.33,-.76,;4,-1.54,;2.66,-.77,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;-0,3.85,;-.01,5.39,;1.33,6.16,;2.66,5.39,;2.66,3.85,;3.73,3.24,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;9.34,-3.07,;10.67,-3.84,;14.72,-3.2,;15.19,-1.73,)|
Show InChI InChI=1S/C31H28F2N4O2/c32-22-10-11-27-24(19-22)25(20-34-27)21-12-17-35(18-13-21)14-5-6-16-37-30(38)29(23-7-1-2-8-26(23)33)28-9-3-4-15-36(28)31(37)39/h1-4,7-12,15,19-20,34H,5-6,13-14,16-18H2
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3.90n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from rat brain cerebral cortex SERT by liquid scintillation counting analysis


Eur J Med Chem 90: 21-32 (2015)


Article DOI: 10.1016/j.ejmech.2014.10.069
BindingDB Entry DOI: 10.7270/Q2VQ34CB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50279541
PNG
(2-(4-(4-(1H-indol-3-yl)piperidin-1-yl)butyl)-4-(2-...)
Show SMILES Fc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O |(-3.9,-32.75,;-5.23,-31.98,;-5.23,-30.44,;-6.57,-29.67,;-7.91,-30.46,;-7.9,-31.99,;-6.57,-32.75,;-6.56,-34.29,;-7.89,-35.07,;-9.23,-34.29,;-10.57,-35.07,;-10.57,-36.62,;-9.23,-37.39,;-7.89,-36.62,;-6.55,-37.39,;-6.55,-38.93,;-5.21,-36.61,;-3.88,-37.38,;-2.54,-36.61,;-1.21,-37.38,;.12,-36.61,;1.46,-37.38,;1.45,-38.93,;2.78,-39.7,;4.11,-38.94,;4.12,-37.39,;2.78,-36.61,;5.45,-39.71,;5.61,-41.24,;7.11,-41.56,;7.88,-40.23,;9.39,-39.92,;9.87,-38.46,;8.83,-37.31,;7.33,-37.63,;6.86,-39.08,;-5.21,-35.06,;-3.88,-34.29,)|
Show InChI InChI=1S/C31H31FN4O2/c32-26-11-3-1-10-24(26)29-28-13-5-6-17-35(28)31(38)36(30(29)37)18-8-7-16-34-19-14-22(15-20-34)25-21-33-27-12-4-2-9-23(25)27/h1-6,9-13,17,21-22,33H,7-8,14-16,18-20H2
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4.80n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat brain membranes


Eur J Med Chem 44: 1710-7 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.021
BindingDB Entry DOI: 10.7270/Q22N5249
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50504438
PNG
(CHEMBL4571321)
Show SMILES COc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccc(F)cc45)C3=O)c2c1
Show InChI InChI=1S/C30H33FN4O3/c1-38-21-5-7-28-23(15-21)26(18-33-28)24-16-29(36)35(30(24)37)11-3-2-10-34-12-8-19(9-13-34)25-17-32-27-6-4-20(31)14-22(25)27/h4-7,14-15,17-19,24,32-33H,2-3,8-13,16H2,1H3
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4.90n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111736
BindingDB Entry DOI: 10.7270/Q2W0996H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50062173
PNG
(CHEMBL3397082)
Show SMILES Fc1ccc2[nH]cc(C3=CCN(CCCCn4c(=O)c(-c5ccccc5Cl)c5ccccn5c4=O)CC3)c2c1 |t:8,(17.11,-.26,;16.72,-1.43,;17.74,-2.57,;17.26,-4.06,;15.74,-4.35,;14.96,-5.67,;13.48,-5.36,;13.34,-3.84,;12,-3.07,;12,-1.53,;10.67,-.76,;9.34,-1.53,;8,-.76,;6.67,-1.53,;5.33,-.76,;4,-1.54,;2.66,-.77,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;-0,3.85,;-.01,5.39,;1.33,6.16,;2.66,5.39,;2.66,3.85,;3.73,3.24,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;9.34,-3.07,;10.67,-3.84,;14.72,-3.2,;15.19,-1.73,)|
Show InChI InChI=1S/C31H28ClFN4O2/c32-26-8-2-1-7-23(26)29-28-9-3-4-15-36(28)31(39)37(30(29)38)16-6-5-14-35-17-12-21(13-18-35)25-20-34-27-11-10-22(33)19-24(25)27/h1-4,7-12,15,19-20,34H,5-6,13-14,16-18H2
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5.20n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from rat brain cerebral cortex SERT by liquid scintillation counting analysis


Eur J Med Chem 90: 21-32 (2015)


Article DOI: 10.1016/j.ejmech.2014.10.069
BindingDB Entry DOI: 10.7270/Q2VQ34CB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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5.5n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111736
BindingDB Entry DOI: 10.7270/Q2W0996H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50062241
PNG
(CHEMBL3397075)
Show SMILES COc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccc(F)cc23)c1=O |(5.07,3.7,;4,3.08,;2.66,3.85,;2.66,5.39,;1.33,6.16,;-.01,5.39,;-0,3.85,;1.33,3.08,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;2.66,-.77,;4,-1.54,;5.33,-.76,;6.67,-1.53,;8,-.76,;9.34,-1.53,;10.67,-.76,;12,-1.53,;12,-3.07,;10.67,-3.84,;9.34,-3.07,;13.34,-3.84,;13.48,-5.36,;14.96,-5.67,;15.74,-4.35,;17.26,-4.06,;17.74,-2.57,;16.72,-1.43,;17.11,-.26,;15.19,-1.73,;14.72,-3.2,;2.66,.77,;3.73,1.38,)|
Show InChI InChI=1S/C32H33FN4O3/c1-40-29-10-3-2-8-24(29)30-28-9-4-5-16-36(28)32(39)37(31(30)38)17-7-6-15-35-18-13-22(14-19-35)26-21-34-27-12-11-23(33)20-25(26)27/h2-5,8-12,16,20-22,34H,6-7,13-15,17-19H2,1H3
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5.60n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from rat brain hippocampus 5-HT1A receptor by radioligand binding assay


Eur J Med Chem 90: 21-32 (2015)


Article DOI: 10.1016/j.ejmech.2014.10.069
BindingDB Entry DOI: 10.7270/Q2VQ34CB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50279520
PNG
(2-{4-[4-(1H-Indol-3-yl)-piperidin-1-yl]-butyl}-4-p...)
Show SMILES Cc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O
Show InChI InChI=1S/C32H34N4O2/c1-23-11-13-25(14-12-23)30-29-10-4-5-18-35(29)32(38)36(31(30)37)19-7-6-17-34-20-15-24(16-21-34)27-22-33-28-9-3-2-8-26(27)28/h2-5,8-14,18,22,24,33H,6-7,15-17,19-21H2,1H3
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5.80n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat brain membranes


Eur J Med Chem 44: 1710-7 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.021
BindingDB Entry DOI: 10.7270/Q22N5249
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50504431
PNG
(CHEMBL4483554)
Show SMILES COc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccccc45)C3=O)c2c1
Show InChI InChI=1S/C30H34N4O3/c1-37-21-8-9-28-23(16-21)26(19-32-28)24-17-29(35)34(30(24)36)13-5-4-12-33-14-10-20(11-15-33)25-18-31-27-7-3-2-6-22(25)27/h2-3,6-9,16,18-20,24,31-32H,4-5,10-15,17H2,1H3
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6.30n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111736
BindingDB Entry DOI: 10.7270/Q2W0996H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM85222
PNG
(CAS_441351-20-8 | Lurasidone | SM 13496)
Show SMILES O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C28H36N4O2S/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2/t18-,19+,20-,21-,24+,25-/m0/s1
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6.70n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111736
BindingDB Entry DOI: 10.7270/Q2W0996H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50504439
PNG
(CHEMBL4515160)
Show SMILES Fc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccc(F)cc45)C3=O)c2c1
Show InChI InChI=1S/C29H30F2N4O2/c30-19-3-5-26-21(13-19)24(16-32-26)18-7-11-34(12-8-18)9-1-2-10-35-28(36)15-23(29(35)37)25-17-33-27-6-4-20(31)14-22(25)27/h3-6,13-14,16-18,23,32-33H,1-2,7-12,15H2
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7n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111736
BindingDB Entry DOI: 10.7270/Q2W0996H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50279540
PNG
(4-(4-Fluoro-phenyl)-2-{4-[4-(1H-indol-3-yl)-piperi...)
Show SMILES Fc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O
Show InChI InChI=1S/C31H31FN4O2/c32-24-12-10-23(11-13-24)29-28-9-3-4-17-35(28)31(38)36(30(29)37)18-6-5-16-34-19-14-22(15-20-34)26-21-33-27-8-2-1-7-25(26)27/h1-4,7-13,17,21-22,33H,5-6,14-16,18-20H2
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9.20n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat brain membranes


Eur J Med Chem 44: 1710-7 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.021
BindingDB Entry DOI: 10.7270/Q22N5249
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50062247
PNG
(CHEMBL3397073)
Show SMILES Fc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccccc5F)c5ccccn5c4=O)CC3)c2c1 |(17.11,-.26,;16.72,-1.43,;17.74,-2.57,;17.26,-4.06,;15.74,-4.35,;14.96,-5.67,;13.48,-5.36,;13.34,-3.84,;12,-3.07,;12,-1.53,;10.67,-.76,;9.34,-1.53,;8,-.76,;6.67,-1.53,;5.33,-.76,;4,-1.54,;2.66,-.77,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;-0,3.85,;-.01,5.39,;1.33,6.16,;2.66,5.39,;2.66,3.85,;3.73,3.24,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;9.34,-3.07,;10.67,-3.84,;14.72,-3.2,;15.19,-1.73,)|
Show InChI InChI=1S/C31H30F2N4O2/c32-22-10-11-27-24(19-22)25(20-34-27)21-12-17-35(18-13-21)14-5-6-16-37-30(38)29(23-7-1-2-8-26(23)33)28-9-3-4-15-36(28)31(37)39/h1-4,7-11,15,19-21,34H,5-6,12-14,16-18H2
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9.20n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from rat brain hippocampus 5-HT1A receptor by radioligand binding assay


Eur J Med Chem 90: 21-32 (2015)


Article DOI: 10.1016/j.ejmech.2014.10.069
BindingDB Entry DOI: 10.7270/Q2VQ34CB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50151982
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)
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9.70n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111736
BindingDB Entry DOI: 10.7270/Q2W0996H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50301431
PNG
(2-{4-[4-(5-Methoxy-1H-indol-3-yl)-piperidin-1-yl]-...)
Show SMILES COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccc(OC)cc23)c1=O
Show InChI InChI=1S/C33H40N4O4/c1-40-25-10-8-24(9-11-25)31-30-7-3-4-17-36(30)33(39)37(32(31)38)18-6-5-16-35-19-14-23(15-20-35)28-22-34-29-13-12-26(41-2)21-27(28)29/h8-13,21-23,34H,3-7,14-20H2,1-2H3
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10.4n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus


Eur J Med Chem 44: 4702-15 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.007
BindingDB Entry DOI: 10.7270/Q28C9W93
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50279561
PNG
(2-(4-(4-(1H-indol-3-yl)piperidin-1-yl)butyl)-4-phe...)
Show SMILES O=c1c(-c2ccccc2)c2ccccn2c(=O)n1CCCCN1CCC(CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C31H32N4O2/c36-30-29(24-10-2-1-3-11-24)28-14-6-7-18-34(28)31(37)35(30)19-9-8-17-33-20-15-23(16-21-33)26-22-32-27-13-5-4-12-25(26)27/h1-7,10-14,18,22-23,32H,8-9,15-17,19-21H2
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10.9n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat brain membranes


Eur J Med Chem 44: 1710-7 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.021
BindingDB Entry DOI: 10.7270/Q22N5249
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50062154
PNG
(CHEMBL3397080)
Show SMILES Fc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(F)cc23)c1=O |c:26|
Show InChI InChI=1S/C31H28F2N4O2/c32-23-8-6-22(7-9-23)29-28-5-1-2-15-36(28)31(39)37(30(29)38)16-4-3-14-35-17-12-21(13-18-35)26-20-34-27-11-10-24(33)19-25(26)27/h1-2,5-12,15,19-20,34H,3-4,13-14,16-18H2
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11n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from rat brain cerebral cortex SERT by liquid scintillation counting analysis


Eur J Med Chem 90: 21-32 (2015)


Article DOI: 10.1016/j.ejmech.2014.10.069
BindingDB Entry DOI: 10.7270/Q2VQ34CB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50062243
PNG
(CHEMBL3397069)
Show SMILES Fc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccccc5)c5ccccn5c4=O)CC3)c2c1
Show InChI InChI=1S/C31H31FN4O2/c32-24-11-12-27-25(20-24)26(21-33-27)22-13-18-34(19-14-22)15-6-7-17-36-30(37)29(23-8-2-1-3-9-23)28-10-4-5-16-35(28)31(36)38/h1-5,8-12,16,20-22,33H,6-7,13-15,17-19H2
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12n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from rat brain hippocampus 5-HT1A receptor by radioligand binding assay


Eur J Med Chem 90: 21-32 (2015)


Article DOI: 10.1016/j.ejmech.2014.10.069
BindingDB Entry DOI: 10.7270/Q2VQ34CB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50062246
PNG
(CHEMBL3397072)
Show SMILES Fc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccc(F)cc23)c1=O
Show InChI InChI=1S/C30H29F3N4O2/c31-22-8-6-21(7-9-22)27-25-5-1-2-15-36(25)30(39)37(29(27)38)16-4-3-14-35-17-12-20(13-18-35)23-19-34-24-10-11-26(32)33-28(23)24/h1-2,5-11,15,19-20,34H,3-4,12-14,16-18H2
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13n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from rat brain hippocampus 5-HT1A receptor by radioligand binding assay


Eur J Med Chem 90: 21-32 (2015)


Article DOI: 10.1016/j.ejmech.2014.10.069
BindingDB Entry DOI: 10.7270/Q2VQ34CB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50504432
PNG
(CHEMBL4571862)
Show SMILES Fc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccccc45)C3=O)c2c1
Show InChI InChI=1S/C29H31FN4O2/c30-20-7-8-27-22(15-20)25(18-32-27)23-16-28(35)34(29(23)36)12-4-3-11-33-13-9-19(10-14-33)24-17-31-26-6-2-1-5-21(24)26/h1-2,5-8,15,17-19,23,31-32H,3-4,9-14,16H2
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13n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111736
BindingDB Entry DOI: 10.7270/Q2W0996H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50301442
PNG
(4-(4-Fluoro-phenyl)-2-{4-[4-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(F)cc5)c5CCCCn5c4=O)CC3)c2c1
Show InChI InChI=1S/C32H37FN4O3/c1-40-25-11-12-28-26(20-25)27(21-34-28)22-13-18-35(19-14-22)15-4-5-17-37-31(38)30(23-7-9-24(33)10-8-23)29-6-2-3-16-36(29)32(37)39/h7-12,20-22,34H,2-6,13-19H2,1H3
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13.9n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus


Eur J Med Chem 44: 4702-15 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.007
BindingDB Entry DOI: 10.7270/Q28C9W93
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50433127
PNG
(CHEMBL2377590)
Show SMILES Fc1ccc2[nH]cc(C3CCN(CCCCN4C(=O)CC(C4=O)c4c[nH]c5ccccc45)CC3)c2c1
Show InChI InChI=1S/C29H31FN4O2/c30-20-7-8-27-22(15-20)24(17-31-27)19-9-13-33(14-10-19)11-3-4-12-34-28(35)16-23(29(34)36)25-18-32-26-6-2-1-5-21(25)26/h1-2,5-8,15,17-19,23,31-32H,3-4,9-14,16H2
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14n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2L receptor expressed in HEK293 cells incubated for 1 hr by liquid scintillation counting method


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111736
BindingDB Entry DOI: 10.7270/Q2W0996H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50433127
PNG
(CHEMBL2377590)
Show SMILES Fc1ccc2[nH]cc(C3CCN(CCCCN4C(=O)CC(C4=O)c4c[nH]c5ccccc45)CC3)c2c1
Show InChI InChI=1S/C29H31FN4O2/c30-20-7-8-27-22(15-20)24(17-31-27)19-9-13-33(14-10-19)11-3-4-12-34-28(35)16-23(29(34)36)25-18-32-26-6-2-1-5-21(25)26/h1-2,5-8,15,17-19,23,31-32H,3-4,9-14,16H2
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14n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in HEK293 cells after 1 hr


Eur J Med Chem 63: 484-500 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.033
BindingDB Entry DOI: 10.7270/Q2N017WF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50301429
PNG
(4-(4-Chloro-phenyl)-2-{4-[4-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5CCCCn5c4=O)CC3)c2c1
Show InChI InChI=1S/C32H37ClN4O3/c1-40-25-11-12-28-26(20-25)27(21-34-28)22-13-18-35(19-14-22)15-4-5-17-37-31(38)30(23-7-9-24(33)10-8-23)29-6-2-3-16-36(29)32(37)39/h7-12,20-22,34H,2-6,13-19H2,1H3
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14.6n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus


Eur J Med Chem 44: 4702-15 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.007
BindingDB Entry DOI: 10.7270/Q28C9W93
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50504431
PNG
(CHEMBL4483554)
Show SMILES COc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccccc45)C3=O)c2c1
Show InChI InChI=1S/C30H34N4O3/c1-37-21-8-9-28-23(16-21)26(19-32-28)24-17-29(35)34(30(24)36)13-5-4-12-33-14-10-20(11-15-33)25-18-31-27-7-3-2-6-22(25)27/h2-3,6-9,16,18-20,24,31-32H,4-5,10-15,17H2,1H3
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16n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2L receptor expressed in HEK293 cells incubated for 1 hr by liquid scintillation counting method


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111736
BindingDB Entry DOI: 10.7270/Q2W0996H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50062243
PNG
(CHEMBL3397069)
Show SMILES Fc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccccc5)c5ccccn5c4=O)CC3)c2c1
Show InChI InChI=1S/C31H31FN4O2/c32-24-11-12-27-25(20-24)26(21-33-27)22-13-18-34(19-14-22)15-6-7-17-36-30(37)29(23-8-2-1-3-9-23)28-10-4-5-16-35(28)31(36)38/h1-5,8-12,16,20-22,33H,6-7,13-15,17-19H2
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16n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from rat brain cerebral cortex SERT by liquid scintillation counting analysis


Eur J Med Chem 90: 21-32 (2015)


Article DOI: 10.1016/j.ejmech.2014.10.069
BindingDB Entry DOI: 10.7270/Q2VQ34CB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50062277
PNG
(CHEMBL3397074)
Show SMILES Fc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccccc5Cl)c5ccccn5c4=O)CC3)c2c1 |(17.11,-.26,;16.72,-1.43,;17.74,-2.57,;17.26,-4.06,;15.74,-4.35,;14.96,-5.67,;13.48,-5.36,;13.34,-3.84,;12,-3.07,;12,-1.53,;10.67,-.76,;9.34,-1.53,;8,-.76,;6.67,-1.53,;5.33,-.76,;4,-1.54,;2.66,-.77,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;-0,3.85,;-.01,5.39,;1.33,6.16,;2.66,5.39,;2.66,3.85,;3.73,3.24,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;9.34,-3.07,;10.67,-3.84,;14.72,-3.2,;15.19,-1.73,)|
Show InChI InChI=1S/C31H30ClFN4O2/c32-26-8-2-1-7-23(26)29-28-9-3-4-15-36(28)31(39)37(30(29)38)16-6-5-14-35-17-12-21(13-18-35)25-20-34-27-11-10-22(33)19-24(25)27/h1-4,7-11,15,19-21,34H,5-6,12-14,16-18H2
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16n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from rat brain hippocampus 5-HT1A receptor by radioligand binding assay


Eur J Med Chem 90: 21-32 (2015)


Article DOI: 10.1016/j.ejmech.2014.10.069
BindingDB Entry DOI: 10.7270/Q2VQ34CB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50062152
PNG
(CHEMBL3397078)
Show SMILES COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(F)cc23)c1=O |c:27|
Show InChI InChI=1S/C32H31FN4O3/c1-40-25-10-7-23(8-11-25)30-29-6-2-3-16-36(29)32(39)37(31(30)38)17-5-4-15-35-18-13-22(14-19-35)27-21-34-28-12-9-24(33)20-26(27)28/h2-3,6-13,16,20-21,34H,4-5,14-15,17-19H2,1H3
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16n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from rat brain cerebral cortex SERT by liquid scintillation counting analysis


Eur J Med Chem 90: 21-32 (2015)


Article DOI: 10.1016/j.ejmech.2014.10.069
BindingDB Entry DOI: 10.7270/Q2VQ34CB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50279586
PNG
(4-(2-fluorophenyl)-2-(4-(4-(5-methoxy-1H-indol-3-y...)
Show SMILES COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccccc5F)c5ccccn5c4=O)CC3)c2c1 |(9.93,-30.98,;8.42,-31.3,;7.94,-32.77,;8.98,-33.91,;8.5,-35.38,;6.99,-35.69,;6.22,-37.02,;4.71,-36.69,;4.56,-35.17,;3.22,-34.39,;1.89,-35.15,;.56,-34.38,;.57,-32.84,;-.77,-32.07,;-2.1,-32.84,;-3.43,-32.07,;-4.77,-32.84,;-6.1,-32.07,;-6.1,-30.52,;-4.77,-29.75,;-7.45,-29.74,;-7.45,-28.21,;-8.79,-27.45,;-8.8,-25.91,;-7.46,-25.13,;-6.12,-25.9,;-6.12,-27.44,;-4.79,-28.2,;-8.78,-30.52,;-10.12,-29.74,;-11.45,-30.52,;-11.45,-32.07,;-10.12,-32.84,;-8.78,-32.07,;-7.44,-32.84,;-7.44,-34.38,;1.89,-32.07,;3.23,-32.85,;5.97,-34.54,;6.44,-33.09,)|
Show InChI InChI=1S/C32H33FN4O3/c1-40-23-11-12-28-25(20-23)26(21-34-28)22-13-18-35(19-14-22)15-6-7-17-37-31(38)30(24-8-2-3-9-27(24)33)29-10-4-5-16-36(29)32(37)39/h2-5,8-12,16,20-22,34H,6-7,13-15,17-19H2,1H3
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16.7n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat brain membranes


Eur J Med Chem 44: 1710-7 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.021
BindingDB Entry DOI: 10.7270/Q22N5249
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM30708
PNG
((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...)
Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |c:24|
Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1
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17n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111736
BindingDB Entry DOI: 10.7270/Q2W0996H
More data for this
Ligand-Target Pair
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