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Compile Data Set for Download or QSAR

Found 1583 hits with Last Name = 'wiese' and Initial = 'm'   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50008735
PNG
((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
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-/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from human D2S receptor expressed in HEK293 cells


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50008735
PNG
((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
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-/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from human dopamine D3 receptor expressed in CHO cells


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.0400n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in CHO cells


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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0.0900n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Opioid receptor delta 1 in rat brain homogenates using [3H]DIDI as radioligand


Bioorg Med Chem Lett 7: 151-156 (1997)


Article DOI: 10.1016/S0960-894X(96)00599-9
BindingDB Entry DOI: 10.7270/Q2474BBD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50070798
PNG
(CHEMBL3409256)
Show SMILES NC(=O)c1ccccc1OCCCN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H30N4O4S/c29-28(33)24-10-4-5-13-27(24)36-21-7-15-30-17-19-31(20-18-30)25-11-6-12-26-23(25)14-16-32(26)37(34,35)22-8-2-1-3-9-22/h1-6,8-14,16H,7,15,17-21H2,(H2,29,33)
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0.100n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from human dopamine D3 receptor expressed in CHO cells


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in CHO cells


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM21367
PNG
(6-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}-N-(...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)
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0.220n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK293 cells after 1 hr


Eur J Med Chem 92: 202-11 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.041
BindingDB Entry DOI: 10.7270/Q2TT4SNW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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0.300n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK-293 cells


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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0.330n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Opioid receptor delta 1 in rat brain homogenates using [3H]naltrindole as radioligand


Bioorg Med Chem Lett 7: 151-156 (1997)


Article DOI: 10.1016/S0960-894X(96)00599-9
BindingDB Entry DOI: 10.7270/Q2474BBD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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0.400n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK-293 cells


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50070831
PNG
(CHEMBL3409238)
Show SMILES O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4n(ccc34)S(=O)(=O)c3ccccc3)cc2N1
Show InChI InChI=1S/C31H34N4O4S/c36-31-14-12-24-11-13-25(23-28(24)32-31)39-22-5-4-16-33-18-20-34(21-19-33)29-9-6-10-30-27(29)15-17-35(30)40(37,38)26-7-2-1-3-8-26/h1-3,6-11,13,15,17,23H,4-5,12,14,16,18-22H2,(H,32,36)
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0.400n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in HEK-293 cells incubated for 60 mins by scintillation counting method


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]RX-821002 from human adrenergic alpha2C receptor expressed in CHO cells


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM85098
PNG
(N-[5-[5-(2,4-Dioxo-1,3,8-triazaspiro[4.5]decan-8-y...)
Show SMILES [#6]-[#8]-c1cc(-[#8]-[#6])c(cc1-[#7][S;v6](=O)(=O)c1ccc(cc1)C(F)(F)F)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]C2([#6]-[#6]-1)[#7]-[#6](=O)-[#7]-[#6]2=O
Show InChI InChI=1S/C27H31F3N4O7S/c1-40-22-16-23(41-2)20(33-42(38,39)18-8-6-17(7-9-18)27(28,29)30)15-19(22)21(35)5-3-4-12-34-13-10-26(11-14-34)24(36)31-25(37)32-26/h6-9,15-16,33H,3-5,10-14H2,1-2H3,(H2,31,32,36,37)
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0.600n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5-HT2C receptor expressed in HEK-293 cells


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50290387
PNG
(22-cyclopropylmethyl-2-ethoxy-13-methyl-14-oxa-11,...)
Show SMILES CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(CC1CC1)CC[C@@]235)ccc4O |r,THB:30:19:3:22.28.27,17:18:3:22.28.27|
Show InChI InChI=1S/C29H32N2O3/c1-3-33-29-15-20-19-6-4-5-7-21(19)30-26(20)27(2)28(29)12-13-31(16-17-8-9-17)23(29)14-18-10-11-22(32)25(34-27)24(18)28/h4-7,10-11,17,23,30,32H,3,8-9,12-16H2,1-2H3/t23?,27-,28-,29+/m0/s1
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0.780n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Opioid receptor delta 1 in rat brain homogenates using [3H]naltrindole as radioligand


Bioorg Med Chem Lett 7: 151-156 (1997)


Article DOI: 10.1016/S0960-894X(96)00599-9
BindingDB Entry DOI: 10.7270/Q2474BBD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(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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0.800n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT7 receptor expressed in CHO cells


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
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 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50070614
PNG
(CHEMBL3409037)
Show SMILES CC(C)c1ccccc1N1CCN(CCCCCCC(=O)N2CCC[C@H]2C(=O)N2CCCCC2)CC1 |r|
Show InChI InChI=1/C30H48N4O2/c1-25(2)26-13-7-8-14-27(26)32-23-21-31(22-24-32)17-9-4-3-6-16-29(35)34-20-12-15-28(34)30(36)33-18-10-5-11-19-33/h7-8,13-14,25,28H,3-6,9-12,15-24H2,1-2H3/t28-/s2
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1n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 1 hr


Eur J Med Chem 92: 202-11 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.041
BindingDB Entry DOI: 10.7270/Q2TT4SNW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50003915
PNG
(CHEMBL3235744)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
Show InChI InChI=1S/C27H36N4O2S/c1-34-25-12-7-6-11-23(25)30-17-15-29(16-18-30)14-8-2-3-13-26(32)31-20-22-10-5-4-9-21(22)19-24(31)27(28)33/h4-7,9-12,24H,2-3,8,13-20H2,1H3,(H2,28,33)/t24-/m0/s1
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<1n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 1 hr


Eur J Med Chem 92: 202-11 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.041
BindingDB Entry DOI: 10.7270/Q2TT4SNW
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50143280
PNG
(CHEMBL3759205)
Show SMILES CC(C)c1cccc(OCCN2C3CCC2CC(C3)NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1/C24H31FN2O3S/c1-17(2)18-4-3-5-23(14-18)30-13-12-27-21-8-9-22(27)16-20(15-21)26-31(28,29)24-10-6-19(25)7-11-24/h3-7,10-11,14,17,20-22,26H,8-9,12-13,15-16H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

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 108: 334-46 (2016)


BindingDB Entry DOI: 10.7270/Q28S4RRH
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50034797
PNG
(CHEMBL3361000)
Show SMILES Cl.COc1ccccc1N1CCN(CCCCCn2cnc3n(C)c(=O)n(C)c(=O)c23)CC1
Show InChI InChI=1S/C23H32N6O3.ClH/c1-25-21-20(22(30)26(2)23(25)31)29(17-24-21)12-8-4-7-11-27-13-15-28(16-14-27)18-9-5-6-10-19(18)32-3;/h5-6,9-10,17H,4,7-8,11-16H2,1-3H3;1H
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1n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1AR in rat hippocampus


Bioorg Med Chem 23: 212-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.008
BindingDB Entry DOI: 10.7270/Q2WD425D
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50034793
PNG
(CHEMBL3360996)
Show SMILES Cl.Cn1c2ncn(CCCCN3CCN(CC3)c3cccc(Cl)c3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C21H27ClN6O2.ClH/c1-24-19-18(20(29)25(2)21(24)30)28(15-23-19)9-4-3-8-26-10-12-27(13-11-26)17-7-5-6-16(22)14-17;/h5-7,14-15H,3-4,8-13H2,1-2H3;1H
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1n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1AR in rat hippocampus


Bioorg Med Chem 23: 212-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.008
BindingDB Entry DOI: 10.7270/Q2WD425D
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50070798
PNG
(CHEMBL3409256)
Show SMILES NC(=O)c1ccccc1OCCCN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H30N4O4S/c29-28(33)24-10-4-5-13-27(24)36-21-7-15-30-17-19-31(20-18-30)25-11-6-12-26-23(25)14-16-32(26)37(34,35)22-8-2-1-3-9-22/h1-6,8-14,16H,7,15,17-21H2,(H2,29,33)
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1n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in HEK-293 cells incubated for 60 mins by scintillation counting method


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50034792
PNG
(CHEMBL3360995)
Show SMILES Cl.COc1ccccc1N1CCN(CCCCn2cnc3n(C)c(=O)n(C)c(=O)c23)CC1
Show InChI InChI=1S/C22H30N6O3.ClH/c1-24-20-19(21(29)25(2)22(24)30)28(16-23-20)11-7-6-10-26-12-14-27(15-13-26)17-8-4-5-9-18(17)31-3;/h4-5,8-9,16H,6-7,10-15H2,1-3H3;1H
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1.20n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1AR in rat hippocampus


Bioorg Med Chem 23: 212-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.008
BindingDB Entry DOI: 10.7270/Q2WD425D
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(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



Jagiellonian University Medical College

Curated by ChEMBL


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


Bioorg Med Chem 19: 6750-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.044
BindingDB Entry DOI: 10.7270/Q2028S0V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50070831
PNG
(CHEMBL3409238)
Show SMILES O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4n(ccc34)S(=O)(=O)c3ccccc3)cc2N1
Show InChI InChI=1S/C31H34N4O4S/c36-31-14-12-24-11-13-25(23-28(24)32-31)39-22-5-4-16-33-18-20-34(21-19-33)29-9-6-10-30-27(29)15-17-35(30)40(37,38)26-7-2-1-3-8-26/h1-3,6-11,13,15,17,23H,4-5,12,14,16,18-22H2,(H,32,36)
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1.30n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor expressed in CHOK1 cells incubated for 60 mins by scintillation cou...


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50070820
PNG
(CHEMBL3409242)
Show SMILES Clc1cccc(Cn2ccc3c(cccc23)N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1
Show InChI InChI=1S/C32H35ClN4O2/c33-26-6-3-5-24(21-26)23-37-15-13-28-30(7-4-8-31(28)37)36-18-16-35(17-19-36)14-1-2-20-39-27-11-9-25-10-12-32(38)34-29(25)22-27/h3-9,11,13,15,21-22H,1-2,10,12,14,16-20,23H2,(H,34,38)
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1.30n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor expressed in CHOK1 cells incubated for 60 mins by scintillation cou...


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM22567
PNG
(3H]pyrilamine | CHEMBL511 | Dorantamin | MEPYRAMIN...)
Show SMILES COc1ccc(CN(CCN(C)C)c2ccccn2)cc1
Show InChI InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3
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1.70n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in HEK-293 cells


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50070904
PNG
(CHEMBL3409258)
Show SMILES CC(C)Oc1ccccc1OCCCN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C30H35N3O4S/c1-24(2)37-30-15-7-6-14-29(30)36-23-9-17-31-19-21-32(22-20-31)27-12-8-13-28-26(27)16-18-33(28)38(34,35)25-10-4-3-5-11-25/h3-8,10-16,18,24H,9,17,19-23H2,1-2H3
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1.70n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in HEK-293 cells incubated for 60 mins by scintillation counting method


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50143372
PNG
(CHEMBL3759617)
Show SMILES CC(C)c1cccc(OCCN2C3CCC2CC(C3)NS(=O)(=O)c2cccc(F)c2)c1
Show InChI InChI=1/C24H31FN2O3S/c1-17(2)18-5-3-7-23(13-18)30-12-11-27-21-9-10-22(27)16-20(15-21)26-31(28,29)24-8-4-6-19(25)14-24/h3-8,13-14,17,20-22,26H,9-12,15-16H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

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 108: 334-46 (2016)


BindingDB Entry DOI: 10.7270/Q28S4RRH
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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2.10n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]imipramine from human SERT expressed in CHO cells


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50070802
PNG
(CHEMBL3409254)
Show SMILES O=C1CCc2ccc(OCCCN3CCN(CC3)c3cccc4n(ccc34)S(=O)(=O)c3ccccc3)cc2N1
Show InChI InChI=1S/C30H32N4O4S/c35-30-13-11-23-10-12-24(22-27(23)31-30)38-21-5-15-32-17-19-33(20-18-32)28-8-4-9-29-26(28)14-16-34(29)39(36,37)25-6-2-1-3-7-25/h1-4,6-10,12,14,16,22H,5,11,13,15,17-21H2,(H,31,35)
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2.30n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in HEK-293 cells incubated for 60 mins by scintillation counting method


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50070800
PNG
(CHEMBL3409257)
Show SMILES NC(=O)c1ccccc1OCCCCN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H32N4O4S/c30-29(34)25-11-4-5-14-28(25)37-22-7-6-16-31-18-20-32(21-19-31)26-12-8-13-27-24(26)15-17-33(27)38(35,36)23-9-2-1-3-10-23/h1-5,8-15,17H,6-7,16,18-22H2,(H2,30,34)
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2.80n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in HEK-293 cells incubated for 60 mins by scintillation counting method


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50357975
PNG
(CHEMBL1917341)
Show SMILES COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2cnc3ccccc3c2)CC1
Show InChI InChI=1S/C24H30N4O3S/c1-31-24-11-5-4-10-23(24)28-16-14-27(15-17-28)13-7-6-12-26-32(29,30)21-18-20-8-2-3-9-22(20)25-19-21/h2-5,8-11,18-19,26H,6-7,12-17H2,1H3
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3.70n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


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


Bioorg Med Chem 19: 6750-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.044
BindingDB Entry DOI: 10.7270/Q2028S0V
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50070801
PNG
(CHEMBL3409255)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCOc2ccc3ccoc3c2)CC1
Show InChI InChI=1S/C29H29N3O4S/c33-37(34,25-6-2-1-3-7-25)32-15-12-26-27(8-4-9-28(26)32)31-18-16-30(17-19-31)14-5-20-35-24-11-10-23-13-21-36-29(23)22-24/h1-4,6-13,15,21-22H,5,14,16-20H2
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3.80n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in HEK-293 cells incubated for 60 mins by scintillation counting method


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50143373
PNG
(CHEMBL3758286)
Show SMILES CC(C)c1cccc(OCCN2C3CCC2CC(C3)NS(=O)(=O)c2cccc(Cl)c2)c1
Show InChI InChI=1/C24H31ClN2O3S/c1-17(2)18-5-3-7-23(13-18)30-12-11-27-21-9-10-22(27)16-20(15-21)26-31(28,29)24-8-4-6-19(25)14-24/h3-8,13-14,17,20-22,26H,9-12,15-16H2,1-2H3
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4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

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 108: 334-46 (2016)


BindingDB Entry DOI: 10.7270/Q28S4RRH
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50143370
PNG
(CHEMBL3759233)
Show SMILES CC(C)c1cccc(OCCN2C3CCC2CC(C3)NS(=O)(=O)c2cc(F)ccc2F)c1
Show InChI InChI=1/C24H30F2N2O3S/c1-16(2)17-4-3-5-22(12-17)31-11-10-28-20-7-8-21(28)15-19(14-20)27-32(29,30)24-13-18(25)6-9-23(24)26/h3-6,9,12-13,16,19-21,27H,7-8,10-11,14-15H2,1-2H3
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4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

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 108: 334-46 (2016)


BindingDB Entry DOI: 10.7270/Q28S4RRH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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4n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor expressed in CHOK1 cells incubated for 60 mins by scintillation cou...


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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4.10n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in HEK-293 cells incubated for 60 mins by scintillation counting method


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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4.60n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from 5-HT2AR in rat cortex


Bioorg Med Chem 23: 212-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.008
BindingDB Entry DOI: 10.7270/Q2WD425D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50070896
PNG
(CHEMBL3409234)
Show SMILES O=C1CCc2ccc(OCCCCN3CCC(CC3)c3cn(Cc4ccccc4)c4ccccc34)cc2N1
Show InChI InChI=1S/C33H37N3O2/c37-33-15-13-27-12-14-28(22-31(27)34-33)38-21-7-6-18-35-19-16-26(17-20-35)30-24-36(23-25-8-2-1-3-9-25)32-11-5-4-10-29(30)32/h1-5,8-12,14,22,24,26H,6-7,13,15-21,23H2,(H,34,37)
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4.80n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor expressed in CHOK1 cells incubated for 60 mins by scintillation cou...


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50034799
PNG
(CHEMBL3361001)
Show SMILES Cl.Cn1c2ncn(CCCCCN3CCN(CC3)c3cccc(Cl)c3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C22H29ClN6O2.ClH/c1-25-20-19(21(30)26(2)22(25)31)29(16-24-20)10-5-3-4-9-27-11-13-28(14-12-27)18-8-6-7-17(23)15-18;/h6-8,15-16H,3-5,9-14H2,1-2H3;1H
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5n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1AR in rat hippocampus


Bioorg Med Chem 23: 212-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.008
BindingDB Entry DOI: 10.7270/Q2WD425D
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50070615
PNG
(CHEMBL3409039)
Show SMILES O=C(CCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1CCC[C@H]1C(=O)N1CCCCC1 |r|
Show InChI InChI=1/C31H42N4O2/c36-30(35-21-11-16-29(35)31(37)34-19-8-2-9-20-34)17-7-10-18-32-22-24-33(25-23-32)28-15-6-5-14-27(28)26-12-3-1-4-13-26/h1,3-6,12-15,29H,2,7-11,16-25H2/t29-/s2
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5n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK293 cells after 1 hr


Eur J Med Chem 92: 202-11 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.041
BindingDB Entry DOI: 10.7270/Q2TT4SNW
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50134678
PNG
(CHEMBL3745815)
Show SMILES CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C26H29FN2O3S/c1-28(33(30,31)24-13-11-22(27)12-14-24)23-15-17-29(18-16-23)19-20-32-26-10-6-5-9-25(26)21-7-3-2-4-8-21/h2-14,23H,15-20H2,1H3
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5n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7B receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50070900
PNG
(CHEMBL3409262)
Show SMILES Fc1ccc(OCCCN2CCN(CC2)c2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C27H28FN3O3S/c28-22-10-12-23(13-11-22)34-21-5-15-29-17-19-30(20-18-29)26-8-4-9-27-25(26)14-16-31(27)35(32,33)24-6-2-1-3-7-24/h1-4,6-14,16H,5,15,17-21H2
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5.40n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in HEK-293 cells incubated for 60 mins by scintillation counting method


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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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5.60n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A 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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50121334
PNG
(2-ethoxy-13,22-dimethyl-(2S,13R)-14-oxa-11,22-diaz...)
Show SMILES CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(C)CCC235)ccc4O |TLB:17:18:3:22.25.24,23:22:3:18.19.20,THB:2:3:18.19.20:22.25.24|
Show InChI InChI=1S/C26H28N2O3/c1-4-30-26-14-17-16-7-5-6-8-18(16)27-23(17)24(2)25(26)11-12-28(3)20(26)13-15-9-10-19(29)22(31-24)21(15)25/h5-10,20,27,29H,4,11-14H2,1-3H3/t20?,24-,25?,26+/m0/s1
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5.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Opioid receptor delta 1 in rat brain homogenates using [3H]DIDI as radioligand


Bioorg Med Chem Lett 7: 151-156 (1997)


Article DOI: 10.1016/S0960-894X(96)00599-9
BindingDB Entry DOI: 10.7270/Q2474BBD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50070613
PNG
(CHEMBL3409035)
Show SMILES NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCN1CCN(CC1)c1ccccc1-c1ccccc1 |r|
Show InChI InChI=1/C31H36N4O2/c32-31(37)29-22-25-12-4-5-13-26(25)23-35(29)30(36)16-8-9-17-33-18-20-34(21-19-33)28-15-7-6-14-27(28)24-10-2-1-3-11-24/h1-7,10-15,29H,8-9,16-23H2,(H2,32,37)/t29-/s2
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6n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT7 receptor expressed in HEK293 cells assessed as cAMP concentration at 10'-6 M by adenylate cyclase activity based HTRF ...


Eur J Med Chem 92: 202-11 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.041
BindingDB Entry DOI: 10.7270/Q2TT4SNW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50070829
PNG
(CHEMBL3409240)
Show SMILES Fc1cccc(Cn2ccc3c(cccc23)N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1
Show InChI InChI=1S/C32H35FN4O2/c33-26-6-3-5-24(21-26)23-37-15-13-28-30(7-4-8-31(28)37)36-18-16-35(17-19-36)14-1-2-20-39-27-11-9-25-10-12-32(38)34-29(25)22-27/h3-9,11,13,15,21-22H,1-2,10,12,14,16-20,23H2,(H,34,38)
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6.10n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor expressed in CHOK1 cells incubated for 60 mins by scintillation cou...


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50070798
PNG
(CHEMBL3409256)
Show SMILES NC(=O)c1ccccc1OCCCN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H30N4O4S/c29-28(33)24-10-4-5-13-27(24)36-21-7-15-30-17-19-31(20-18-30)25-11-6-12-26-23(25)14-16-32(26)37(34,35)22-8-2-1-3-9-22/h1-6,8-14,16H,7,15,17-21H2,(H2,29,33)
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6.30n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor expressed in CHOK1 cells incubated for 60 mins by scintillation cou...


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50070798
PNG
(CHEMBL3409256)
Show SMILES NC(=O)c1ccccc1OCCCN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H30N4O4S/c29-28(33)24-10-4-5-13-27(24)36-21-7-15-30-17-19-31(20-18-30)25-11-6-12-26-23(25)14-16-32(26)37(34,35)22-8-2-1-3-9-22/h1-6,8-14,16H,7,15,17-21H2,(H2,29,33)
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6.30n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from human D2S receptor expressed in HEK293 cells


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
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