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Compile Data Set for Download or QSAR

Found 242 hits with Last Name = 'vass' 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
Substance-K receptor


(Rattus norvegicus (Rat))
BDBM50291261
PNG
((S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)pip...)
Show SMILES CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1
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0.510n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Ability to displace [125I]NKA from Tachykinin receptor 2 in rat deodenum membrane


J Med Chem 39: 2281-4 (1996)


Article DOI: 10.1021/jm9602423
BindingDB Entry DOI: 10.7270/Q22J6CJR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50026746
PNG
(CHEMBL3335471)
Show SMILES NCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(cc(c2)C(F)(F)F)C#N)CC1 |r,wU:5.4,wD:8.8,(44.7,-19.21,;43.93,-20.55,;42.39,-20.55,;41.62,-21.88,;41.62,-19.21,;40.08,-19.21,;39.31,-20.55,;37.77,-20.55,;37,-19.21,;35.46,-19.21,;34.69,-17.88,;33.15,-17.88,;32.38,-19.21,;30.84,-19.21,;30.07,-17.88,;30.84,-16.54,;32.38,-16.54,;28.53,-17.88,;27.76,-19.21,;26.22,-19.21,;25.45,-17.88,;26.22,-16.54,;27.76,-16.54,;25.45,-15.21,;26.22,-13.88,;23.91,-15.21,;24.68,-13.88,;25.45,-20.55,;24.68,-21.88,;37.77,-17.88,;39.31,-17.88,)|
Show InChI InChI=1S/C22H30F3N5O/c23-22(24,25)18-11-17(14-26)12-20(13-18)30-9-7-29(8-10-30)6-5-16-1-3-19(4-2-16)28-21(31)15-27/h11-13,16,19H,1-10,15,27H2,(H,28,31)/t16-,19-
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0.620n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D3 receptor expressed in CHO-K1 cells after 120 mins by scintillation counting analysis


ACS Med Chem Lett 5: 1010-4 (2014)


Article DOI: 10.1021/ml500201u
BindingDB Entry DOI: 10.7270/Q2CC128M
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50026747
PNG
(CHEMBL3335472)
Show SMILES NS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(cc(c2)C(F)(F)F)C#N)CC1 |r,wU:5.4,wD:8.8,(31.51,-21.3,;30.02,-21.7,;30.02,-23.24,;28.69,-22.47,;29.25,-20.36,;27.71,-20.36,;26.94,-21.7,;25.4,-21.7,;24.63,-20.36,;23.09,-20.36,;22.32,-19.03,;20.78,-19.03,;20.01,-20.36,;18.47,-20.36,;17.7,-19.03,;18.47,-17.7,;20.01,-17.7,;16.16,-19.03,;15.39,-20.36,;13.85,-20.36,;13.08,-19.03,;13.85,-17.7,;15.39,-17.7,;13.08,-16.36,;12.31,-15.02,;13.85,-15.02,;11.54,-16.36,;13.08,-21.7,;12.31,-23.03,;25.4,-19.03,;26.94,-19.03,)|
Show InChI InChI=1S/C20H28F3N5O2S/c21-20(22,23)17-11-16(14-24)12-19(13-17)28-9-7-27(8-10-28)6-5-15-1-3-18(4-2-15)26-31(25,29)30/h11-13,15,18,26H,1-10H2,(H2,25,29,30)/t15-,18-
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0.670n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D3 receptor expressed in CHO-K1 cells after 120 mins by scintillation counting analysis


ACS Med Chem Lett 5: 1010-4 (2014)


Article DOI: 10.1021/ml500201u
BindingDB Entry DOI: 10.7270/Q2CC128M
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50026745
PNG
(CHEMBL3335470)
Show SMILES NC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(cc(c2)C(F)(F)F)C#N)CC1 |r,wU:4.3,wD:7.7,(20.37,-9.78,;21.14,-8.45,;22.68,-8.45,;20.37,-7.12,;18.83,-7.12,;18.06,-8.45,;16.52,-8.45,;15.75,-7.12,;14.21,-7.12,;13.44,-5.78,;11.9,-5.78,;11.13,-7.12,;9.59,-7.12,;8.82,-5.78,;9.59,-4.45,;11.13,-4.45,;7.28,-5.78,;6.51,-7.12,;4.97,-7.12,;4.2,-5.78,;4.97,-4.45,;6.51,-4.45,;4.2,-3.12,;4.97,-1.78,;2.66,-3.12,;3.43,-1.78,;4.2,-8.45,;3.43,-9.78,;16.52,-5.78,;18.06,-5.78,)|
Show InChI InChI=1S/C21H28F3N5O/c22-21(23,24)17-11-16(14-25)12-19(13-17)29-9-7-28(8-10-29)6-5-15-1-3-18(4-2-15)27-20(26)30/h11-13,15,18H,1-10H2,(H3,26,27,30)/t15-,18-
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0.75n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D3 receptor expressed in CHO-K1 cells after 120 mins by scintillation counting analysis


ACS Med Chem Lett 5: 1010-4 (2014)


Article DOI: 10.1021/ml500201u
BindingDB Entry DOI: 10.7270/Q2CC128M
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50051293
PNG
((S)-(-)-N-(R-ethylbenzyl)-3-hydroxy-2-phenylquinol...)
Show SMILES CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)/t20-/m0/s1
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1n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)


J Med Chem 39: 2281-4 (1996)


Article DOI: 10.1021/jm9602423
BindingDB Entry DOI: 10.7270/Q22J6CJR
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50291261
PNG
((S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)pip...)
Show SMILES CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)


J Med Chem 39: 2281-4 (1996)


Article DOI: 10.1021/jm9602423
BindingDB Entry DOI: 10.7270/Q22J6CJR
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50001922
PNG
(2-Naphthalen-1-ylmethyl-4,5-dihydro-1H-imidazole; ...)
Show SMILES C(C1=NCCN1)c1cccc2ccccc12 |t:1|
Show InChI InChI=1S/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)
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2.30n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50051295
PNG
((S)-3-methyl-2-phenyl-N-(1-phenylpropyl)quinoline-...)
Show SMILES CC[C@H](NC(=O)c1c(C)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H24N2O/c1-3-22(19-12-6-4-7-13-19)28-26(29)24-18(2)25(20-14-8-5-9-15-20)27-23-17-11-10-16-21(23)24/h4-17,22H,3H2,1-2H3,(H,28,29)/t22-/m0/s1
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4.20n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)


J Med Chem 39: 2281-4 (1996)


Article DOI: 10.1021/jm9602423
BindingDB Entry DOI: 10.7270/Q22J6CJR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50026746
PNG
(CHEMBL3335471)
Show SMILES NCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(cc(c2)C(F)(F)F)C#N)CC1 |r,wU:5.4,wD:8.8,(44.7,-19.21,;43.93,-20.55,;42.39,-20.55,;41.62,-21.88,;41.62,-19.21,;40.08,-19.21,;39.31,-20.55,;37.77,-20.55,;37,-19.21,;35.46,-19.21,;34.69,-17.88,;33.15,-17.88,;32.38,-19.21,;30.84,-19.21,;30.07,-17.88,;30.84,-16.54,;32.38,-16.54,;28.53,-17.88,;27.76,-19.21,;26.22,-19.21,;25.45,-17.88,;26.22,-16.54,;27.76,-16.54,;25.45,-15.21,;26.22,-13.88,;23.91,-15.21,;24.68,-13.88,;25.45,-20.55,;24.68,-21.88,;37.77,-17.88,;39.31,-17.88,)|
Show InChI InChI=1S/C22H30F3N5O/c23-22(24,25)18-11-17(14-26)12-20(13-18)30-9-7-29(8-10-30)6-5-16-1-3-19(4-2-16)28-21(31)15-27/h11-13,16,19H,1-10,15,27H2,(H,28,31)/t16-,19-
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5.40n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2long receptor expressed in HEK293Galpha15 cells after 120 mins by scintillation counting analysis


ACS Med Chem Lett 5: 1010-4 (2014)


Article DOI: 10.1021/ml500201u
BindingDB Entry DOI: 10.7270/Q2CC128M
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097712
PNG
(CHEMBL3590203)
Show SMILES NCCc1ccccc1-c1cccc(c1)C#N
Show InChI InChI=1S/C37H50FN7O5S/c1-3-4-5-6-7-8-9-10-11-12-18-42(2)33(47)25-45-23-30(35(49)41-37(45)51-27-28-13-15-31(38)16-14-28)20-29-21-40-36(50)44(22-29)26-34(48)43-19-17-39-32(46)24-43/h13-16,21-23H,3-12,17-20,24-27H2,1-2H3,(H,39,46)
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12n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50051292
PNG
((S)-Phenyl-[(2-phenyl-quinoline-4-carbonyl)-amino]...)
Show SMILES COC(=O)[C@@H](NC(=O)c1cc(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H20N2O3/c1-30-25(29)23(18-12-6-3-7-13-18)27-24(28)20-16-22(17-10-4-2-5-11-17)26-21-15-9-8-14-19(20)21/h2-16,23H,1H3,(H,27,28)/t23-/m0/s1
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13n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)


J Med Chem 39: 2281-4 (1996)


Article DOI: 10.1021/jm9602423
BindingDB Entry DOI: 10.7270/Q22J6CJR
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50051294
PNG
(2-Phenyl-quinoline-4-carboxylic acid ((S)-1-phenyl...)
Show SMILES CC[C@H](NC(=O)c1cc(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H22N2O/c1-2-22(18-11-5-3-6-12-18)27-25(28)21-17-24(19-13-7-4-8-14-19)26-23-16-10-9-15-20(21)23/h3-17,22H,2H2,1H3,(H,27,28)/t22-/m0/s1
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18n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)


J Med Chem 39: 2281-4 (1996)


Article DOI: 10.1021/jm9602423
BindingDB Entry DOI: 10.7270/Q22J6CJR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50026745
PNG
(CHEMBL3335470)
Show SMILES NC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(cc(c2)C(F)(F)F)C#N)CC1 |r,wU:4.3,wD:7.7,(20.37,-9.78,;21.14,-8.45,;22.68,-8.45,;20.37,-7.12,;18.83,-7.12,;18.06,-8.45,;16.52,-8.45,;15.75,-7.12,;14.21,-7.12,;13.44,-5.78,;11.9,-5.78,;11.13,-7.12,;9.59,-7.12,;8.82,-5.78,;9.59,-4.45,;11.13,-4.45,;7.28,-5.78,;6.51,-7.12,;4.97,-7.12,;4.2,-5.78,;4.97,-4.45,;6.51,-4.45,;4.2,-3.12,;4.97,-1.78,;2.66,-3.12,;3.43,-1.78,;4.2,-8.45,;3.43,-9.78,;16.52,-5.78,;18.06,-5.78,)|
Show InChI InChI=1S/C21H28F3N5O/c22-21(23,24)17-11-16(14-25)12-19(13-17)29-9-7-28(8-10-29)6-5-15-1-3-18(4-2-15)27-20(26)30/h11-13,15,18H,1-10H2,(H3,26,27,30)/t15-,18-
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30n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2long receptor expressed in HEK293Galpha15 cells after 120 mins by scintillation counting analysis


ACS Med Chem Lett 5: 1010-4 (2014)


Article DOI: 10.1021/ml500201u
BindingDB Entry DOI: 10.7270/Q2CC128M
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50051291
PNG
(CHEMBL429951 | Phenyl-[(2-phenyl-quinoline-4-carbo...)
Show SMILES COC(=O)C(NC(=O)c1cc(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H20N2O3/c1-30-25(29)23(18-12-6-3-7-13-18)27-24(28)20-16-22(17-10-4-2-5-11-17)26-21-15-9-8-14-19(20)21/h2-16,23H,1H3,(H,27,28)
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31n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)


J Med Chem 39: 2281-4 (1996)


Article DOI: 10.1021/jm9602423
BindingDB Entry DOI: 10.7270/Q22J6CJR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50026747
PNG
(CHEMBL3335472)
Show SMILES NS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(cc(c2)C(F)(F)F)C#N)CC1 |r,wU:5.4,wD:8.8,(31.51,-21.3,;30.02,-21.7,;30.02,-23.24,;28.69,-22.47,;29.25,-20.36,;27.71,-20.36,;26.94,-21.7,;25.4,-21.7,;24.63,-20.36,;23.09,-20.36,;22.32,-19.03,;20.78,-19.03,;20.01,-20.36,;18.47,-20.36,;17.7,-19.03,;18.47,-17.7,;20.01,-17.7,;16.16,-19.03,;15.39,-20.36,;13.85,-20.36,;13.08,-19.03,;13.85,-17.7,;15.39,-17.7,;13.08,-16.36,;12.31,-15.02,;13.85,-15.02,;11.54,-16.36,;13.08,-21.7,;12.31,-23.03,;25.4,-19.03,;26.94,-19.03,)|
Show InChI InChI=1S/C20H28F3N5O2S/c21-20(22,23)17-11-16(14-24)12-19(13-17)28-9-7-27(8-10-28)6-5-15-1-3-18(4-2-15)26-31(25,29)30/h11-13,15,18,26H,1-10H2,(H2,25,29,30)/t15-,18-
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37n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human D2long receptor expressed in HEK293Galpha15 cells after 120 mins by scintillation counting analysis


ACS Med Chem Lett 5: 1010-4 (2014)


Article DOI: 10.1021/ml500201u
BindingDB Entry DOI: 10.7270/Q2CC128M
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50291261
PNG
((S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)pip...)
Show SMILES CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1
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40n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding Affinity of [125I]NKA towards Tachykinin receptor 2-CHO cell membranes (n=3-8)


J Med Chem 39: 2281-4 (1996)


Article DOI: 10.1021/jm9602423
BindingDB Entry DOI: 10.7270/Q22J6CJR
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097711
PNG
(CHEMBL3588902)
Show SMILES Cc1ccccc1NCc1cnc[nH]1
Show InChI InChI=1S/C33H42FN7O5S/c1-3-4-5-6-7-8-14-38(2)29(43)21-41-19-26(31(45)37-33(41)47-23-24-9-11-27(34)12-10-24)16-25-17-36-32(46)40(18-25)22-30(44)39-15-13-35-28(42)20-39/h9-12,17-19H,3-8,13-16,20-23H2,1-2H3,(H,35,42)
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72n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50004923
PNG
((+/-)-SKF-38393 | 1-Phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES Oc1cc2CCNCC(c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2
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83n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50051293
PNG
((S)-(-)-N-(R-ethylbenzyl)-3-hydroxy-2-phenylquinol...)
Show SMILES CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)/t20-/m0/s1
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144n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding Affinity of [125I]NKA towards Tachykinin receptor 2-CHO cell membranes (n=3-8)


J Med Chem 39: 2281-4 (1996)


Article DOI: 10.1021/jm9602423
BindingDB Entry DOI: 10.7270/Q22J6CJR
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50051294
PNG
(2-Phenyl-quinoline-4-carboxylic acid ((S)-1-phenyl...)
Show SMILES CC[C@H](NC(=O)c1cc(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H22N2O/c1-2-22(18-11-5-3-6-12-18)27-25(28)21-17-24(19-13-7-4-8-14-19)26-23-16-10-9-15-20(21)23/h3-17,22H,2H2,1H3,(H,27,28)/t22-/m0/s1
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237n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding Affinity of [125I]NKA towards Tachykinin receptor 2-CHO cell membranes (n=3-8)


J Med Chem 39: 2281-4 (1996)


Article DOI: 10.1021/jm9602423
BindingDB Entry DOI: 10.7270/Q22J6CJR
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097721
PNG
(CHEMBL1879790 | EN300-11843)
Show SMILES CN1CCN(CC1)c1ccccc1N
Show InChI InChI=1S/C29H38FN5O3S/c1-4-6-7-8-9-10-15-33(3)26(36)20-35-19-24(16-23-17-31-28(38)34(5-2)18-23)27(37)32-29(35)39-21-22-11-13-25(30)14-12-22/h11-14,17-19H,4-10,15-16,20-21H2,1-3H3
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240n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50051295
PNG
((S)-3-methyl-2-phenyl-N-(1-phenylpropyl)quinoline-...)
Show SMILES CC[C@H](NC(=O)c1c(C)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H24N2O/c1-3-22(19-12-6-4-7-13-19)28-26(29)24-18(2)25(20-14-8-5-9-15-20)27-23-17-11-10-16-21(23)24/h4-17,22H,3H2,1-2H3,(H,28,29)/t22-/m0/s1
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277n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding Affinity of [125I]NKA towards Tachykinin receptor 2-CHO cell membranes (n=3-8)


J Med Chem 39: 2281-4 (1996)


Article DOI: 10.1021/jm9602423
BindingDB Entry DOI: 10.7270/Q22J6CJR
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097708
PNG
(CHEMBL3588903)
Show SMILES Cc1ccccc1NCc1ccncc1
Show InChI InChI=1S/C27H34FN5O3S/c1-3-4-5-6-7-8-13-32(2)24(34)18-33-17-22(14-21-15-29-26(36)30-16-21)25(35)31-27(33)37-19-20-9-11-23(28)12-10-20/h9-12,15-17H,3-8,13-14,18-19H2,1-2H3,(H,29,30,36)
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537n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097722
PNG
(CHEMBL129399)
Show SMILES CN1CCN(CC1)c1cccc(N)c1
Show InChI InChI=1S/C29H36FN5O5S/c1-3-4-5-6-7-8-13-33(2)25(36)18-35-17-23(14-22-15-31-28(40)34(16-22)19-26(37)38)27(39)32-29(35)41-20-21-9-11-24(30)12-10-21/h9-12,15-17H,3-8,13-14,18-20H2,1-2H3,(H,37,38)
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562n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50421231
PNG
(CHEMBL2087646)
Show SMILES NCCSc1nc2ccccc2o1
Show InChI InChI=1S/C9H10N2OS/c10-5-6-13-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6,10H2
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646n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50051289
PNG
((R)-Phenyl-[(2-phenyl-quinoline-4-carbonyl)-amino]...)
Show SMILES COC(=O)[C@H](NC(=O)c1cc(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H20N2O3/c1-30-25(29)23(18-12-6-3-7-13-18)27-24(28)20-16-22(17-10-4-2-5-11-17)26-21-15-9-8-14-19(20)21/h2-16,23H,1H3,(H,27,28)/t23-/m1/s1
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925n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding Affinity of [125I]-MePhe7-NKB towards Tachykinin receptor 3-CHO cell membranes(n=3-8)


J Med Chem 39: 2281-4 (1996)


Article DOI: 10.1021/jm9602423
BindingDB Entry DOI: 10.7270/Q22J6CJR
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097707
PNG
(CHEMBL3588904)
Show SMILES C(Nc1ccccc1-c1cccnc1)c1ccncc1
Show InChI InChI=1S/C31H42FN5O3S/c1-3-4-5-6-7-8-9-10-11-12-17-36(2)28(38)22-37-21-26(18-25-19-33-30(40)34-20-25)29(39)35-31(37)41-23-24-13-15-27(32)16-14-24/h13-16,19-21H,3-12,17-18,22-23H2,1-2H3,(H,33,34,40)
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1.07E+3n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50307216
PNG
(1-(3-Bromobenzyl)-1H-imidazole | CHEMBL598391)
Show SMILES Brc1cccc(Cn2ccnc2)c1
Show InChI InChI=1S/C10H9BrN2/c11-10-3-1-2-9(6-10)7-13-5-4-12-8-13/h1-6,8H,7H2
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1.18E+3n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50051292
PNG
((S)-Phenyl-[(2-phenyl-quinoline-4-carbonyl)-amino]...)
Show SMILES COC(=O)[C@@H](NC(=O)c1cc(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H20N2O3/c1-30-25(29)23(18-12-6-3-7-13-18)27-24(28)20-16-22(17-10-4-2-5-11-17)26-21-15-9-8-14-19(20)21/h2-16,23H,1H3,(H,27,28)/t23-/m0/s1
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1.22E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding Affinity of [125I]NKA towards Tachykinin receptor 2-CHO cell membranes (n=3-8)


J Med Chem 39: 2281-4 (1996)


Article DOI: 10.1021/jm9602423
BindingDB Entry DOI: 10.7270/Q22J6CJR
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50291261
PNG
((S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)pip...)
Show SMILES CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1
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1.30E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding Affinity of [3H]- substance P towards Tachykinin receptor 1-CHO cell membranes (n=3-8)


J Med Chem 39: 2281-4 (1996)


Article DOI: 10.1021/jm9602423
BindingDB Entry DOI: 10.7270/Q22J6CJR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50378185
PNG
(CHEMBL4162688)
Show SMILES CC(NCCC(Cc1ccccc1)c1ccco1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24ClNO/c1-17(19-9-11-21(23)12-10-19)24-14-13-20(22-8-5-15-25-22)16-18-6-3-2-4-7-18/h2-12,15,17,20,24H,13-14,16H2,1H3
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1.40E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


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


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50106345
PNG
(4-(4-Methyl-piperazin-1-yl)-phenylamine | CHEMBL34...)
Show SMILES CN1CCN(CC1)c1ccc(N)cc1
Show InChI InChI=1S/C11H17N3/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h2-5H,6-9,12H2,1H3
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1.51E+3n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50378188
PNG
(CHEMBL4177293)
Show SMILES CC(NCCC(c1ccco1)c1ccc(F)cc1)c1ccc(C)cc1
Show InChI InChI=1S/C22H24FNO/c1-16-5-7-18(8-6-16)17(2)24-14-13-21(22-4-3-15-25-22)19-9-11-20(23)12-10-19/h3-12,15,17,21,24H,13-14H2,1-2H3
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1.80E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


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


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50378186
PNG
(CHEMBL4174981)
Show SMILES FC(F)(F)C1(Nc2ccccn2)N=C(N(Cc2ccccc2)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C22H17F3N4O/c23-22(24,25)21(27-18-13-7-8-14-26-18)20(30)29(15-16-9-3-1-4-10-16)19(28-21)17-11-5-2-6-12-17/h1-14H,15H2,(H,26,27)
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1.90E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


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


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50378183
PNG
(CHEMBL4174845)
Show SMILES COc1ccc(CNCCC(c2ccco2)c2ccccc2OC)cc1
Show InChI InChI=1S/C22H25NO3/c1-24-18-11-9-17(10-12-18)16-23-14-13-20(22-8-5-15-26-22)19-6-3-4-7-21(19)25-2/h3-12,15,20,23H,13-14,16H2,1-2H3
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2.40E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


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


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50378190
PNG
(CHEMBL4164143)
Show SMILES CC(NCCC(c1ccco1)c1ccc(C)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24ClNO/c1-16-5-7-19(8-6-16)21(22-4-3-15-25-22)13-14-24-17(2)18-9-11-20(23)12-10-18/h3-12,15,17,21,24H,13-14H2,1-2H3
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2.50E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


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


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50378189
PNG
(CHEMBL4164250)
Show SMILES COc1cc(CNCCC2=CCCCC2)ccc1OCc1ccccc1 |t:9|
Show InChI InChI=1S/C23H29NO2/c1-25-23-16-21(17-24-15-14-19-8-4-2-5-9-19)12-13-22(23)26-18-20-10-6-3-7-11-20/h3,6-8,10-13,16,24H,2,4-5,9,14-15,17-18H2,1H3
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2.70E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


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


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50051291
PNG
(CHEMBL429951 | Phenyl-[(2-phenyl-quinoline-4-carbo...)
Show SMILES COC(=O)C(NC(=O)c1cc(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H20N2O3/c1-30-25(29)23(18-12-6-3-7-13-18)27-24(28)20-16-22(17-10-4-2-5-11-17)26-21-15-9-8-14-19(20)21/h2-16,23H,1H3,(H,27,28)
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2.95E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding Affinity of [125I]NKA towards Tachykinin receptor 2-CHO cell membranes (n=3-8)


J Med Chem 39: 2281-4 (1996)


Article DOI: 10.1021/jm9602423
BindingDB Entry DOI: 10.7270/Q22J6CJR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50378184
PNG
(CHEMBL4175296)
Show SMILES CCC1(C)CC(CCNCc2ccc(OC)c(OC)c2)(CCO1)c1ccc(C)cc1
Show InChI InChI=1S/C26H37NO3/c1-6-25(3)19-26(14-16-30-25,22-10-7-20(2)8-11-22)13-15-27-18-21-9-12-23(28-4)24(17-21)29-5/h7-12,17,27H,6,13-16,18-19H2,1-5H3
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3.40E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


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


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM61471
PNG
((3-Benzo[1,3]dioxol-5-yl-3-phenyl-propyl)-(4-metho...)
Show SMILES COc1ccc(CNCCC(c2ccccc2)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C24H25NO3/c1-26-21-10-7-18(8-11-21)16-25-14-13-22(19-5-3-2-4-6-19)20-9-12-23-24(15-20)28-17-27-23/h2-12,15,22,25H,13-14,16-17H2,1H3
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3.70E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


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


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50378181
PNG
(CHEMBL4166667)
Show SMILES CC(NCc1cc(Br)ccc1OCc1ccc(C)cc1)c1ccccc1
Show InChI InChI=1S/C23H24BrNO/c1-17-8-10-19(11-9-17)16-26-23-13-12-22(24)14-21(23)15-25-18(2)20-6-4-3-5-7-20/h3-14,18,25H,15-16H2,1-2H3
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3.70E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7b receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50378185
PNG
(CHEMBL4162688)
Show SMILES CC(NCCC(Cc1ccccc1)c1ccco1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24ClNO/c1-17(19-9-11-21(23)12-10-19)24-14-13-20(22-8-5-15-25-22)16-18-6-3-2-4-7-18/h2-12,15,17,20,24H,13-14,16H2,1H3
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3.80E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7b receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50378189
PNG
(CHEMBL4164250)
Show SMILES COc1cc(CNCCC2=CCCCC2)ccc1OCc1ccccc1 |t:9|
Show InChI InChI=1S/C23H29NO2/c1-25-23-16-21(17-24-15-14-19-8-4-2-5-9-19)12-13-22(23)26-18-20-10-6-3-7-11-20/h3,6-8,10-13,16,24H,2,4-5,9,14-15,17-18H2,1H3
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4.90E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50378181
PNG
(CHEMBL4166667)
Show SMILES CC(NCc1cc(Br)ccc1OCc1ccc(C)cc1)c1ccccc1
Show InChI InChI=1S/C23H24BrNO/c1-17-8-10-19(11-9-17)16-26-23-13-12-22(24)14-21(23)15-25-18(2)20-6-4-3-5-7-20/h3-14,18,25H,15-16H2,1-2H3
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5.10E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


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


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097719
PNG
(CHEMBL3588905)
Show SMILES C(NCc1cccnc1)c1c[nH]c(n1)-c1ccccc1
Show InChI InChI=1S/C34H40FN5O3S/c1-3-4-5-6-7-11-18-39(2)31(41)23-40-22-29(32(42)38-34(40)44-25-27-14-16-30(35)17-15-27)19-28-20-36-33(37-21-28)43-24-26-12-9-8-10-13-26/h8-10,12-17,20-22H,3-7,11,18-19,23-25H2,1-2H3
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5.25E+3n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50378187
PNG
(CHEMBL4170813)
Show SMILES CCC1(C)CC(CCNCc2ccccc2)(CCO1)c1ccc(C)cc1
Show InChI InChI=1S/C24H33NO/c1-4-23(3)19-24(15-17-26-23,22-12-10-20(2)11-13-22)14-16-25-18-21-8-6-5-7-9-21/h5-13,25H,4,14-19H2,1-3H3
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5.60E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


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


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50378182
PNG
(CHEMBL4160177)
Show SMILES CC(CC(C)(C)c1ccc(C)o1)NCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H24F3NO/c1-13(11-18(3,4)17-10-5-14(2)24-17)23-12-15-6-8-16(9-7-15)19(20,21)22/h5-10,13,23H,11-12H2,1-4H3
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5.80E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


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


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50378182
PNG
(CHEMBL4160177)
Show SMILES CC(CC(C)(C)c1ccc(C)o1)NCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H24F3NO/c1-13(11-18(3,4)17-10-5-14(2)24-17)23-12-15-6-8-16(9-7-15)19(20,21)22/h5-10,13,23H,11-12H2,1-4H3
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6.10E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7b receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50378188
PNG
(CHEMBL4177293)
Show SMILES CC(NCCC(c1ccco1)c1ccc(F)cc1)c1ccc(C)cc1
Show InChI InChI=1S/C22H24FNO/c1-16-5-7-18(8-6-16)17(2)24-14-13-21(22-4-3-15-25-22)19-9-11-20(23)12-10-19/h3-12,15,17,21,24H,13-14H2,1-2H3
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6.10E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50378183
PNG
(CHEMBL4174845)
Show SMILES COc1ccc(CNCCC(c2ccco2)c2ccccc2OC)cc1
Show InChI InChI=1S/C22H25NO3/c1-24-18-11-9-17(10-12-18)16-23-14-13-20(22-8-5-15-26-22)19-6-3-4-7-21(19)25-2/h3-12,15,20,23H,13-14,16H2,1-2H3
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6.10E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cell membranes after 1 hr by microbeta TopCount analysis


Eur J Med Chem 151: 797-814 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.010
BindingDB Entry DOI: 10.7270/Q2W098H4
More data for this
Ligand-Target Pair
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