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Found 94 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit'   
Target
(Institution)
LigandTarget
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
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50322524
PNG
((2S,3S)-2-(4-Fluorophenyl)-3,5,5-trimethylmorpholi...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(F)cc1
Show InChI InChI=1S/C13H18FNO2/c1-9-13(16,17-8-12(2,3)15-9)10-4-6-11(14)7-5-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1
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Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha4beta4 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at...


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50322529
PNG
((2S,3S)-2-(3-Fluorophenyl)-3,5,5-trimethylmorpholi...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(F)c1
Show InChI InChI=1S/C13H18FNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1
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Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha4beta4 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at...


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50322508
PNG
((+/-)3,5,5-Trimethyl-2-(pyridin-2-yl)morpholin-2-o...)
Show SMILES CC1NC(C)(C)COC1(O)c1ccccn1
Show InChI InChI=1S/C12H18N2O2/c1-9-12(15,10-6-4-5-7-13-10)16-8-11(2,3)14-9/h4-7,9,14-15H,8H2,1-3H3
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Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha4beta4 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at...


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50322509
PNG
((+/-)3,5,5-Trimethyl-2-(pyridin-3-yl)morpholin-2-o...)
Show SMILES CC1NC(C)(C)COC1(O)c1cccnc1
Show InChI InChI=1S/C12H18N2O2/c1-9-12(15,10-5-4-6-13-7-10)16-8-11(2,3)14-9/h4-7,9,14-15H,8H2,1-3H3
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Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha4beta4 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at...


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50322526
PNG
((2S,3S)-2-(3-Methoxyphenyl)-3,5,5-trimethylmorphol...)
Show SMILES COc1cccc(c1)[C@]1(O)OCC(C)(C)N[C@H]1C
Show InChI InChI=1S/C14H21NO3/c1-10-14(16,18-9-13(2,3)15-10)11-6-5-7-12(8-11)17-4/h5-8,10,15-16H,9H2,1-4H3/t10-,14+/m0/s1
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Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha4beta4 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at...


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50322519
PNG
((2S,3S)-2-(3,4-Difluorophenyl)-3,5,5-trimethylmorp...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C13H17F2NO2/c1-8-13(17,18-7-12(2,3)16-8)9-4-5-10(14)11(15)6-9/h4-6,8,16-17H,7H2,1-3H3/t8-,13+/m0/s1
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Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha4beta4 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at...


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50322528
PNG
((2S,3S)-2-(3-Bromophenyl)-3,5,5-trimethylmorpholin...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Br)c1
Show InChI InChI=1S/C13H18BrNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1
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Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha4beta4 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at...


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50322531
PNG
((2R,3R)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholi...)
Show SMILES C[C@H]1NC(C)(C)CO[C@]1(O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H18ClNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m1/s1
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Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha4beta4 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at...


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50322525
PNG
((2S,3S)-2-(3-Nitrophenyl)-3,5,5-trimethylmorpholin...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H18N2O4/c1-9-13(16,19-8-12(2,3)14-9)10-5-4-6-11(7-10)15(17)18/h4-7,9,14,16H,8H2,1-3H3/t9-,13+/m0/s1
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Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha4beta4 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at...


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50322514
PNG
((2S,3S)-2-(Naphthalen-2-yl)-3,5,5-trimethylmorphol...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(c1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C23H25NO2/c1-16-23(25,26-15-22(2,3)24-16)21-10-6-9-19(14-21)20-12-11-17-7-4-5-8-18(17)13-20/h4-14,16,24-25H,15H2,1-3H3/t16-,23+/m0/s1
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Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha4beta4 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at...


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50048392
PNG
(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
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Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha4beta4 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at...


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50322515
PNG
((2S,3S)-2-(Naphthalen-1-yl)-3,5,5-trimethylmorphol...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(c1)-c1cccc2ccccc12
Show InChI InChI=1S/C23H25NO2/c1-16-23(25,26-15-22(2,3)24-16)19-11-6-10-18(14-19)21-13-7-9-17-8-4-5-12-20(17)21/h4-14,16,24-25H,15H2,1-3H3/t16-,23+/m0/s1
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Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha4beta4 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at...


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50322518
PNG
((+/-)2-(3,4-Dichlorophenyl)-3,5,5-trimethylmorphol...)
Show SMILES CC1NC(C)(C)COC1(O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H17Cl2NO2/c1-8-13(17,18-7-12(2,3)16-8)9-4-5-10(14)11(15)6-9/h4-6,8,16-17H,7H2,1-3H3
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Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha4beta4 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at...


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50322513
PNG
((2S,3S)-2-(3-Chlorophenyl)-3-ethyl-5,5-dimethylmor...)
Show SMILES CC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H20ClNO2/c1-4-12-14(17,18-9-13(2,3)16-12)10-6-5-7-11(15)8-10/h5-8,12,16-17H,4,9H2,1-3H3/t12-,14-/m0/s1
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Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha4beta4 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at...


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50322516
PNG
((+/-)2-(3,5-Dichlorophenyl)-3,5,5-trimethylmorphol...)
Show SMILES CC1NC(C)(C)COC1(O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C13H17Cl2NO2/c1-8-13(17,18-7-12(2,3)16-8)9-4-10(14)6-11(15)5-9/h4-6,8,16-17H,7H2,1-3H3
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Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha4beta4 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at...


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50322512
PNG
((2S,3S)-2-(3-Chlorophenyl)-5,5-dimethyl-3-propyl-m...)
Show SMILES CCC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H22ClNO2/c1-4-6-13-15(18,19-10-14(2,3)17-13)11-7-5-8-12(16)9-11/h5,7-9,13,17-18H,4,6,10H2,1-3H3/t13-,15-/m0/s1
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Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha4beta4 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at...


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50322523
PNG
((2S,3S)-2-(4-Chlorophenyl)-3,5,5-trimethylmorpholi...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H18ClNO2/c1-9-13(16,17-8-12(2,3)15-9)10-4-6-11(14)7-5-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1
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Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha4beta4 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at...


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50322532
PNG
((2S,3S)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholi...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H18ClNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1
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Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha4beta4 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at...


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50322511
PNG
((2S,3S)-2-(3-Chlorophenyl)-3,4,5,5-tetramethylmorp...)
Show SMILES C[C@@H]1N(C)C(C)(C)CO[C@@]1(O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H20ClNO2/c1-10-14(17,11-6-5-7-12(15)8-11)18-9-13(2,3)16(10)4/h5-8,10,17H,9H2,1-4H3/t10-,14+/m0/s1
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Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha4beta4 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at...


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50322517
PNG
((2S,3S)-2-(3,5-Difluorophenyl)-3,5,5-trimethylmorp...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C13H17F2NO2/c1-8-13(17,18-7-12(2,3)16-8)9-4-10(14)6-11(15)5-9/h4-6,8,16-17H,7H2,1-3H3/t8-,13+/m0/s1
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Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha4beta4 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at...


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50322522
PNG
((2S,3S)-3,5,5-Trimethyl-2-(4-methylphenyl)morpholi...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(C)cc1
Show InChI InChI=1S/C14H21NO2/c1-10-5-7-12(8-6-10)14(16)11(2)15-13(3,4)9-17-14/h5-8,11,15-16H,9H2,1-4H3/t11-,14+/m0/s1
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Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha4beta4 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at...


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50322527
PNG
((2S,3S)-2-(m-Tolyl)-3,5,5-trimethylmorpholin-2-ol ...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(C)c1
Show InChI InChI=1S/C14H21NO2/c1-10-6-5-7-12(8-10)14(16)11(2)15-13(3,4)9-17-14/h5-8,11,15-16H,9H2,1-4H3/t11-,14+/m0/s1
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Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha4beta4 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at...


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50322521
PNG
((2S,3S)-2-(4-Methoxyphenyl)-3,5,5-trimethylmorphol...)
Show SMILES COc1ccc(cc1)[C@]1(O)OCC(C)(C)N[C@H]1C
Show InChI InChI=1S/C14H21NO3/c1-10-14(16,18-9-13(2,3)15-10)11-5-7-12(17-4)8-6-11/h5-8,10,15-16H,9H2,1-4H3/t10-,14+/m0/s1
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Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha4beta4 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at...


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50322520
PNG
((2S,3S)-2-Biphenyl-4-yl-3,5,5-trimethylmorpholin-2...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H23NO2/c1-14-19(21,22-13-18(2,3)20-14)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,14,20-21H,13H2,1-3H3/t14-,19+/m0/s1
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n/an/a 81n/an/an/an/an/an/a



Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha4beta4 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at...


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50322510
PNG
((2S,3S)-2-(4-Chlorophenyl)-3,4,5,5-tetramethylmorp...)
Show SMILES C[C@@H]1N(C)C(C)(C)CO[C@@]1(O)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H20ClNO2/c1-10-14(17,11-5-7-12(15)8-6-11)18-9-13(2,3)16(10)4/h5-8,10,17H,9H2,1-4H3/t10-,14+/m0/s1
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n/an/a 91n/an/an/an/an/an/a



Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha4beta4 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at...


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50322530
PNG
((2S,3S)-2-Phenyl-3,5,5-trimethylmorpholin-2-ol | C...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccccc1
Show InChI InChI=1S/C13H19NO2/c1-10-13(15,11-7-5-4-6-8-11)16-9-12(2,3)14-10/h4-8,10,14-15H,9H2,1-3H3/t10-,13+/m0/s1
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n/an/a 92n/an/an/an/an/an/a



Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Antagonist activity at alpha4beta4 nicotinic receptor in human SH-EP1 cells assessed as inhibition varbamylcholine-induced radiolabeled Rb+ influx at...


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50341208
PNG
((S,S)-2-(3'-Chlorophenyl)-3,5,5-trimethyl-4-propyl...)
Show SMILES CCCN1[C@@H](C)[C@@](O)(OCC1(C)C)c1cccc(Cl)c1
Show InChI InChI=1S/C16H24ClNO2/c1-5-9-18-12(2)16(19,20-11-15(18,3)4)13-7-6-8-14(17)10-13/h6-8,10,12,19H,5,9,11H2,1-4H3/t12-,16+/m0/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta4 nAChR in HEK293 cells assessed as inhibition of carbamylcholine-induced radiolabeled Rb ion efflux


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50341207
PNG
((S,S)-2-(3'-Chlorophenyl)-4-ethyl-3,5,5-trimethylm...)
Show SMILES CCN1[C@@H](C)[C@@](O)(OCC1(C)C)c1cccc(Cl)c1
Show InChI InChI=1S/C15H22ClNO2/c1-5-17-11(2)15(18,19-10-14(17,3)4)12-7-6-8-13(16)9-12/h6-9,11,18H,5,10H2,1-4H3/t11-,15+/m0/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta4 nAChR in HEK293 cells assessed as inhibition of carbamylcholine-induced radiolabeled Rb ion efflux


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50322512
PNG
((2S,3S)-2-(3-Chlorophenyl)-5,5-dimethyl-3-propyl-m...)
Show SMILES CCC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H22ClNO2/c1-4-6-13-15(18,19-10-14(2,3)17-13)11-7-5-8-12(16)9-11/h5,7-9,13,17-18H,4,6,10H2,1-3H3/t13-,15-/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta4 nAChR in HEK293 cells assessed as inhibition of carbamylcholine-induced radiolabeled Rb ion efflux


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50322528
PNG
((2S,3S)-2-(3-Bromophenyl)-3,5,5-trimethylmorpholin...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Br)c1
Show InChI InChI=1S/C13H18BrNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta4 nAChR in HEK293 cells assessed as inhibition of carbamylcholine-induced radiolabeled Rb ion efflux


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50322531
PNG
((2R,3R)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholi...)
Show SMILES C[C@H]1NC(C)(C)CO[C@]1(O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H18ClNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta4 nAChR in HEK293 cells assessed as inhibition of carbamylcholine-induced radiolabeled Rb ion efflux


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50322513
PNG
((2S,3S)-2-(3-Chlorophenyl)-3-ethyl-5,5-dimethylmor...)
Show SMILES CC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H20ClNO2/c1-4-12-14(17,18-9-13(2,3)16-12)10-6-5-7-11(15)8-10/h5-8,12,16-17H,4,9H2,1-3H3/t12-,14-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta4 nAChR in HEK293 cells assessed as inhibition of carbamylcholine-induced radiolabeled Rb ion efflux


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50322511
PNG
((2S,3S)-2-(3-Chlorophenyl)-3,4,5,5-tetramethylmorp...)
Show SMILES C[C@@H]1N(C)C(C)(C)CO[C@@]1(O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H20ClNO2/c1-10-14(17,11-6-5-7-12(15)8-11)18-9-13(2,3)16(10)4/h5-8,10,17H,9H2,1-4H3/t10-,14+/m0/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta4 nAChR in HEK293 cells assessed as inhibition of carbamylcholine-induced radiolabeled Rb ion efflux


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50322532
PNG
((2S,3S)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholi...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H18ClNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta4 nAChR in HEK293 cells assessed as inhibition of carbamylcholine-induced radiolabeled Rb ion efflux


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50322529
PNG
((2S,3S)-2-(3-Fluorophenyl)-3,5,5-trimethylmorpholi...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(F)c1
Show InChI InChI=1S/C13H18FNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1
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n/an/a 5.50E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta4 nAChR in HEK293 cells assessed as inhibition of carbamylcholine-induced radiolabeled Rb ion efflux


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50100715
PNG
(2-(6-Bromo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]hepta...)
Show SMILES Brc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13BrN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0440n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta4 expressed in Xenopus oocytes using [3H]-epibatidine as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0720n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor using [3H]epibatidine as radioligand in rat brain tissue


Bioorg Med Chem Lett 14: 271-3 (2003)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0850n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta4 expressed in Xenopus oocytes using [3H]-epibatidine as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.150n/an/an/an/an/an/an/an/a



Georgetown University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK293 cells using [3H]EB as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.157n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta4 using [3H]epibatidine


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.160n/an/an/an/an/an/an/an/a



Georgetown University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK293 cells using [3H]EB as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50100707
PNG
((R)-2-(6-Fluoro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]...)
Show SMILES Fc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13FN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.480n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta4 expressed in Xenopus oocytes using [3H]-epibatidine as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50143282
PNG
((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...)
Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Georgetown University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards rat nicotinic acetylcholine receptor alpha2-beta2 expressed in HEK293 cells using [3H]EB as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50100717
PNG
(2-(pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane | 2-P...)
Show SMILES C1CC2NC1CC2c1cccnc1
Show InChI InChI=1S/C11H14N2/c1-2-8(7-12-5-1)10-6-9-3-4-11(10)13-9/h1-2,5,7,9-11,13H,3-4,6H2
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3.20n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta4 expressed in Xenopus oocytes using [3H]-epibatidine as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50100713
PNG
(5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-pyridin-2-ylamin...)
Show SMILES Nc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H15N3/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2,(H2,12,13)
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4.30n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta4 expressed in Xenopus oocytes using [3H]-epibatidine as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50049750
PNG
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)
Show SMILES C(Oc1cccnc1)[C@@H]1CCN1
Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
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7.10n/an/an/an/an/an/an/an/a



Georgetown University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta2 expressed in HEK293 cells using [3H]EB as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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23n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]epibatidine from alpha4beta4 nAChR after 4 hrs by liquid scintillation counting analysis


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More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50143281
PNG
(3-((S)-Azetidin-2-yloxy)-5-iodo-pyridine | CHEMBL5...)
Show SMILES Ic1cncc(O[C@H]2CCN2)c1
Show InChI InChI=1S/C8H9IN2O/c9-6-3-7(5-10-4-6)12-8-1-2-11-8/h3-5,8,11H,1-2H2/t8-/m0/s1
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24n/an/an/an/an/an/an/an/a



Georgetown University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta4 expressed in HEK293 cells using [3H]EB as radioligand


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More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50452056
PNG
(CHEMBL417586)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2CCN1C2CCC1C(C2)c1ccc(Cl)nc1
Show InChI InChI=1S/C24H28Cl2N4/c25-23-7-1-15(13-27-23)19-11-17-3-5-21(19)29(17)9-10-30-18-4-6-22(30)20(12-18)16-2-8-24(26)28-14-16/h1-2,7-8,13-14,17-22H,3-6,9-12H2
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28n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta4 using [3H]epibatidine


Citation and Details
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(HUMAN-Homo sapiens (human))
BDBM50137787
PNG
(6-(6-Chloro-pyridin-3-yl)-8-aza-bicyclo[3.2.1]octa...)
Show SMILES OC1CC2CC(C(C1)N2)c1ccc(Cl)nc1
Show InChI InChI=1S/C12H15ClN2O/c13-12-2-1-7(6-14-12)10-4-8-3-9(16)5-11(10)15-8/h1-2,6,8-11,15-16H,3-5H2
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38n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor alpha2-beta4 using [3H]epibatidine as radioligand expressed in HEK293 cells or tsA cells


Bioorg Med Chem Lett 14: 271-3 (2003)

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Ligand-Target Pair
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