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Compile Data Set for Download or QSAR

Found 1458 hits with Last Name = 'chow' 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
Tubulin beta chain


(Sus scrofa)
BDBM50485941
PNG
(CHEMBL2181004)
Show SMILES COc1ccc(CN[C@H]2CCc3cc(OC)c(OC)c(OC)c3-c3ccc(OC)c(=O)cc23)cc1 |r|
Show InChI InChI=1S/C28H31NO6/c1-31-19-9-6-17(7-10-19)16-29-22-12-8-18-14-25(33-3)27(34-4)28(35-5)26(18)20-11-13-24(32-2)23(30)15-21(20)22/h6-7,9-11,13-15,22,29H,8,12,16H2,1-5H3/t22-/m0/s1
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0.0460n/an/an/an/an/an/an/an/a



University of Bradford

Curated by ChEMBL


Assay Description
Binding affinity to pig brain tubulin


J Med Chem 55: 11062-6 (2012)


Article DOI: 10.1021/jm301151t
BindingDB Entry DOI: 10.7270/Q22V2K0N
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50485945
PNG
(CHEMBL2181003)
Show SMILES COc1cc2CC[C@H](NCc3ccc(cc3)[N+]([O-])=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C27H28N2O7/c1-33-23-12-10-19-20(14-22(23)30)21(28-15-16-5-8-18(9-6-16)29(31)32)11-7-17-13-24(34-2)26(35-3)27(36-4)25(17)19/h5-6,8-10,12-14,21,28H,7,11,15H2,1-4H3/t21-/m0/s1
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0.0585n/an/an/an/an/an/an/an/a



University of Bradford

Curated by ChEMBL


Assay Description
Binding affinity to pig brain tubulin


J Med Chem 55: 11062-6 (2012)


Article DOI: 10.1021/jm301151t
BindingDB Entry DOI: 10.7270/Q22V2K0N
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50485942
PNG
(CHEMBL2181002)
Show SMILES COc1cc2CC[C@H](NCc3cc(F)c(F)c(F)c3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C27H26F3NO5/c1-33-22-8-6-16-17(12-21(22)32)20(31-13-14-9-18(28)25(30)19(29)10-14)7-5-15-11-23(34-2)26(35-3)27(36-4)24(15)16/h6,8-12,20,31H,5,7,13H2,1-4H3/t20-/m0/s1
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0.0637n/an/an/an/an/an/an/an/a



University of Bradford

Curated by ChEMBL


Assay Description
Binding affinity to pig brain tubulin


J Med Chem 55: 11062-6 (2012)


Article DOI: 10.1021/jm301151t
BindingDB Entry DOI: 10.7270/Q22V2K0N
More data for this
Ligand-Target Pair
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
Tubulin beta chain


(Sus scrofa)
BDBM50485950
PNG
(CHEMBL2181009)
Show SMILES COc1cc2CC[C@H](NCc3cccc(F)c3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C27H28FNO5/c1-31-23-11-9-19-20(14-22(23)30)21(29-15-16-6-5-7-18(28)12-16)10-8-17-13-24(32-2)26(33-3)27(34-4)25(17)19/h5-7,9,11-14,21,29H,8,10,15H2,1-4H3/t21-/m0/s1
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0.122n/an/an/an/an/an/an/an/a



University of Bradford

Curated by ChEMBL


Assay Description
Binding affinity to pig brain tubulin


J Med Chem 55: 11062-6 (2012)


Article DOI: 10.1021/jm301151t
BindingDB Entry DOI: 10.7270/Q22V2K0N
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50485944
PNG
(CHEMBL2181006)
Show SMILES COc1cc2CC[C@H](NCc3ccc(Cl)cc3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C27H28ClNO5/c1-31-23-12-10-19-20(14-22(23)30)21(29-15-16-5-8-18(28)9-6-16)11-7-17-13-24(32-2)26(33-3)27(34-4)25(17)19/h5-6,8-10,12-14,21,29H,7,11,15H2,1-4H3/t21-/m0/s1
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0.127n/an/an/an/an/an/an/an/a



University of Bradford

Curated by ChEMBL


Assay Description
Binding affinity to pig brain tubulin


J Med Chem 55: 11062-6 (2012)


Article DOI: 10.1021/jm301151t
BindingDB Entry DOI: 10.7270/Q22V2K0N
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50485943
PNG
(CHEMBL2181001)
Show SMILES COc1cc2CC[C@H](NCc3cc(F)cc(F)c3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C27H27F2NO5/c1-32-23-8-6-19-20(13-22(23)31)21(30-14-15-9-17(28)12-18(29)10-15)7-5-16-11-24(33-2)26(34-3)27(35-4)25(16)19/h6,8-13,21,30H,5,7,14H2,1-4H3/t21-/m0/s1
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0.131n/an/an/an/an/an/an/an/a



University of Bradford

Curated by ChEMBL


Assay Description
Binding affinity to pig brain tubulin


J Med Chem 55: 11062-6 (2012)


Article DOI: 10.1021/jm301151t
BindingDB Entry DOI: 10.7270/Q22V2K0N
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50485946
PNG
(CHEMBL2181000)
Show SMILES COc1cc2CC[C@H](NCc3ccc(F)c(F)c3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C27H27F2NO5/c1-32-23-10-7-17-18(13-22(23)31)21(30-14-15-5-8-19(28)20(29)11-15)9-6-16-12-24(33-2)26(34-3)27(35-4)25(16)17/h5,7-8,10-13,21,30H,6,9,14H2,1-4H3/t21-/m0/s1
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0.143n/an/an/an/an/an/an/an/a



University of Bradford

Curated by ChEMBL


Assay Description
Binding affinity to pig brain tubulin


J Med Chem 55: 11062-6 (2012)


Article DOI: 10.1021/jm301151t
BindingDB Entry DOI: 10.7270/Q22V2K0N
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50485947
PNG
(CHEMBL2181008)
Show SMILES COc1cc2CC[C@H](NCc3ccc(F)cc3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C27H28FNO5/c1-31-23-12-10-19-20(14-22(23)30)21(29-15-16-5-8-18(28)9-6-16)11-7-17-13-24(32-2)26(33-3)27(34-4)25(17)19/h5-6,8-10,12-14,21,29H,7,11,15H2,1-4H3/t21-/m0/s1
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0.183n/an/an/an/an/an/an/an/a



University of Bradford

Curated by ChEMBL


Assay Description
Binding affinity to pig brain tubulin


J Med Chem 55: 11062-6 (2012)


Article DOI: 10.1021/jm301151t
BindingDB Entry DOI: 10.7270/Q22V2K0N
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50485949
PNG
(CHEMBL2180999)
Show SMILES COc1cc2CC[C@H](NCc3cccc(F)c3F)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C27H27F2NO5/c1-32-22-11-9-17-18(13-21(22)31)20(30-14-16-6-5-7-19(28)25(16)29)10-8-15-12-23(33-2)26(34-3)27(35-4)24(15)17/h5-7,9,11-13,20,30H,8,10,14H2,1-4H3/t20-/m0/s1
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0.198n/an/an/an/an/an/an/an/a



University of Bradford

Curated by ChEMBL


Assay Description
Binding affinity to pig brain tubulin


J Med Chem 55: 11062-6 (2012)


Article DOI: 10.1021/jm301151t
BindingDB Entry DOI: 10.7270/Q22V2K0N
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50485948
PNG
(CHEMBL2181007)
Show SMILES COc1cc2CC[C@H](NCc3ccc(I)cc3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C27H28INO5/c1-31-23-12-10-19-20(14-22(23)30)21(29-15-16-5-8-18(28)9-6-16)11-7-17-13-24(32-2)26(33-3)27(34-4)25(17)19/h5-6,8-10,12-14,21,29H,7,11,15H2,1-4H3/t21-/m0/s1
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0.280n/an/an/an/an/an/an/an/a



University of Bradford

Curated by ChEMBL


Assay Description
Binding affinity to pig brain tubulin


J Med Chem 55: 11062-6 (2012)


Article DOI: 10.1021/jm301151t
BindingDB Entry DOI: 10.7270/Q22V2K0N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50393371
PNG
(CHEMBL2159465)
Show SMILES CC(C)c1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H29FN2O3S/c1-17(2)21-5-3-4-6-22(21)28-16-15-25-13-11-19(12-14-25)24-29(26,27)20-9-7-18(23)8-10-20/h3-10,17,19,24H,11-16H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7b receptor expressed in HEK293 cells after 1 hr


Eur J Med Chem 56: 348-360 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.043
BindingDB Entry DOI: 10.7270/Q28P61N6
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
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50174269
PNG
(1-(phenylsulfonyl)-4-(piperazin-1-yl)-1H-indole | ...)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCNCC1
Show InChI InChI=1S/C18H19N3O2S/c22-24(23,15-5-2-1-3-6-15)21-12-9-16-17(7-4-8-18(16)21)20-13-10-19-11-14-20/h1-9,12,19H,10-11,13-14H2
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0.300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cells measured after 1 hr by microbeta plate reader method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112765
BindingDB Entry DOI: 10.7270/Q2ZC86K7
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
Tubulin beta chain


(Sus scrofa)
BDBM50485940
PNG
(CHEMBL2181005)
Show SMILES COc1cc2CC[C@H](NCc3ccc(Br)cc3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C27H28BrNO5/c1-31-23-12-10-19-20(14-22(23)30)21(29-15-16-5-8-18(28)9-6-16)11-7-17-13-24(32-2)26(33-3)27(34-4)25(17)19/h5-6,8-10,12-14,21,29H,7,11,15H2,1-4H3/t21-/m0/s1
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0.367n/an/an/an/an/an/an/an/a



University of Bradford

Curated by ChEMBL


Assay Description
Binding affinity to pig brain tubulin


J Med Chem 55: 11062-6 (2012)


Article DOI: 10.1021/jm301151t
BindingDB Entry DOI: 10.7270/Q22V2K0N
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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50366495
PNG
((+)butaclamol | CHEMBL1255588)
Show SMILES CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc([C@H]2C1)c34 |r|
Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m1/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]spiperone from dopamine D2 receptor in rat straitum tissue after 20 mins by scintillation counting


Eur J Med Chem 46: 4474-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.022
BindingDB Entry DOI: 10.7270/Q2Z0395D
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
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50253281
PNG
(CHEMBL522691 | N-(4-Cyanophenylmethyl)-4-(2-diphen...)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccc(cc1)C#N
Show InChI InChI=1S/C30H34N4O/c31-23-25-14-16-26(17-15-25)24-32-30(35)13-5-2-8-18-33-19-21-34(22-20-33)29-12-7-6-11-28(29)27-9-3-1-4-10-27/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18-22,24H2,(H,32,35)
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0.580n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7b receptor expressed in HEK293 cells after 1 hr


Eur J Med Chem 56: 348-360 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.043
BindingDB Entry DOI: 10.7270/Q28P61N6
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 6


(Homo sapiens (Human))
BDBM50419052
PNG
(SB-399885)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Cl)cc(Cl)c1OC
Show InChI InChI=1S/C18H21Cl2N3O4S/c1-26-17-4-3-13(11-16(17)23-7-5-21-6-8-23)28(24,25)22-15-10-12(19)9-14(20)18(15)27-2/h3-4,9-11,21-22H,5-8H2,1-2H3
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0.700n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00224
BindingDB Entry DOI: 10.7270/Q2X3528B
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
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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0.800n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


Eur J Med Chem 60: 42-50 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.042
BindingDB Entry DOI: 10.7270/Q21V5G98
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50579346
PNG
(CHEMBL4867565)
Show SMILES Fc1cccc(c1)S(=O)(=O)n1ccc2c(nc3ccccc3c12)N1CCNCC1
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0.930n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5HT3 receptor (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00224
BindingDB Entry DOI: 10.7270/Q2X3528B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50098551
PNG
((R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolid...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |r|
Show InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7b receptor expressed in HEK293 cells after 1 hr


Eur J Med Chem 56: 348-360 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.043
BindingDB Entry DOI: 10.7270/Q28P61N6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM10989
PNG
((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)
Show SMILES C#CCN[C@@H]1CCc2ccccc12 |r|
Show InChI InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1
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1.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cells measured after 1 hr by microbeta plate reader method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112765
BindingDB Entry DOI: 10.7270/Q2ZC86K7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50318633
PNG
(3-benzenesulfonyl-8-piperazin-1-ylquinoline | CHEM...)
Show SMILES O=S(=O)(c1ccccc1)c1cnc2c(cccc2c1)N1CCNCC1
Show InChI InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2
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1.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00224
BindingDB Entry DOI: 10.7270/Q2X3528B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50318633
PNG
(3-benzenesulfonyl-8-piperazin-1-ylquinoline | CHEM...)
Show SMILES O=S(=O)(c1ccccc1)c1cnc2c(cccc2c1)N1CCNCC1
Show InChI InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2
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1.40n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6R expressed in HEK293 cell membranes after 1 hr


Bioorg Med Chem 26: 3588-3595 (2018)


Article DOI: 10.1016/j.bmc.2018.05.033
BindingDB Entry DOI: 10.7270/Q2BC4219
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50014846
PNG
((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



University of Bradford

Curated by ChEMBL


Assay Description
Binding affinity to pig brain tubulin


J Med Chem 55: 11062-6 (2012)


Article DOI: 10.1021/jm301151t
BindingDB Entry DOI: 10.7270/Q22V2K0N
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 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))
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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1.80n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2 receptor expressed in HEK cells incubated for 1 hr by Cheng-Prusoff analysis based microbeta scintillat...


Eur J Med Chem 180: 383-397 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.027
BindingDB Entry DOI: 10.7270/Q23B63H7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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1.80n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from recombinant human D2 receptor expressed in HEK293 cells measured after 1 hr by microbeta scintillation counting ...


Eur J Med Chem 166: 144-158 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.031
BindingDB Entry DOI: 10.7270/Q2M61PPW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM105212
PNG
(2-(4-Nonyl-piperazin-1-yl)-6-nitroquinoline (9))
Show SMILES CCCCCCCCCN1CCN(CC1)c1ccc2cc(ccc2n1)[N+]([O-])=O
Show InChI InChI=1S/C22H32N4O2/c1-2-3-4-5-6-7-8-13-24-14-16-25(17-15-24)22-12-9-19-18-20(26(27)28)10-11-21(19)23-22/h9-12,18H,2-8,13-17H2,1H3
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1.80 -49.9n/an/an/an/an/a7.725



University of Troms£



Assay Description
The assay was performed in accordance with the method described by Owens et al. with slight modifications. Rat cerebral cortex was homogenized in 30...


Chem Biol Drug Des 81: 695-706 (2013)


Article DOI: 10.1111/cbdd.12116
BindingDB Entry DOI: 10.7270/Q2542M7W
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 7


(Homo sapiens (Human))
BDBM50393395
PNG
(CHEMBL2159489)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N[C@@H]1CCN(CCOc2ccccc2-c2ccccc2)C1 |r|
Show InChI InChI=1S/C24H25FN2O3S/c25-20-10-12-22(13-11-20)31(28,29)26-21-14-15-27(18-21)16-17-30-24-9-5-4-8-23(24)19-6-2-1-3-7-19/h1-13,21,26H,14-18H2/t21-/m1/s1
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7b receptor expressed in HEK293 cells after 1 hr


Eur J Med Chem 56: 348-360 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.043
BindingDB Entry DOI: 10.7270/Q28P61N6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50579339
PNG
(CHEMBL4865309)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c2n(ccc12)S(=O)(=O)c1ccccc1
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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00224
BindingDB Entry DOI: 10.7270/Q2X3528B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50579341
PNG
(CHEMBL4860809)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c2n(ccc12)S(=O)(=O)c1cccc(F)c1
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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00224
BindingDB Entry DOI: 10.7270/Q2X3528B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50579342
PNG
(CHEMBL4872586)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c2n(ccc12)S(=O)(=O)c1cccc(Cl)c1
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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cell membranes measured after 1 hr by microbeta counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00224
BindingDB Entry DOI: 10.7270/Q2X3528B
More data for this
Ligand-Target Pair
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 2A


(Rattus norvegicus (rat))
BDBM50354102
PNG
(CHEMBL1836107)
Show SMILES O=C(NC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1)c1ccc2ccccc2c1 |r,TLB:2:3:10:6.7|
Show InChI InChI=1S/C25H26N2O/c28-25(21-11-10-19-8-4-5-9-20(19)14-21)26-22-15-23-12-13-24(16-22)27(23)17-18-6-2-1-3-7-18/h1-11,14,22-24H,12-13,15-17H2,(H,26,28)/t23-,24-/m1/s1
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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]ketanserin from 5HT2A in rat brain cerebral cortex after 20 mins by scintillation counting


Eur J Med Chem 46: 4474-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.022
BindingDB Entry DOI: 10.7270/Q2Z0395D
More data for this
Ligand-Target Pair
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


(Rattus norvegicus (rat))
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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2.60n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A in rat brain cerebral cortex after 15 mins by scintillation counting


Eur J Med Chem 46: 4474-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.022
BindingDB Entry DOI: 10.7270/Q2Z0395D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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