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PubMed code 9083473

Compile data set for download or QSAR
Found 33 hits of Enzyme Inhibition Constant Data   
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
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50454823
PNG
(CHEMBL3084910)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccccc1Cl)N2C |TLB:9:7:24:2.3|
Show InChI InChI=1S/C21H24ClNO/c1-23-16-11-12-17(23)14-18(13-16)24-21(15-7-3-2-4-8-15)19-9-5-6-10-20(19)22/h2-10,16-18,21H,11-14H2,1H3/t16-,17+,18+,21?
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 0.410n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine binding at muscarinic Muscarinic acetylcholine receptor M1 in rat brain P2 membranes.

J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50454830
PNG
(CHEMBL3084869)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccccc1F)N2C |TLB:9:7:24:2.3|
Show InChI InChI=1S/C21H24FNO/c1-23-16-11-12-17(23)14-18(13-16)24-21(15-7-3-2-4-8-15)19-9-5-6-10-20(19)22/h2-10,16-18,21H,11-14H2,1H3/t16-,17+,18+,21?
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 0.430n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine binding at muscarinic Muscarinic acetylcholine receptor M1 in rat brain P2 membranes.

J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50454825
PNG
(CHEMBL3084878)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccccc1C)N2C |TLB:9:7:24:3.2|
Show InChI InChI=1S/C22H27NO/c1-16-8-6-7-11-21(16)22(17-9-4-3-5-10-17)24-20-14-18-12-13-19(15-20)23(18)2/h3-11,18-20,22H,12-15H2,1-2H3/t18-,19+,20+,22?
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 0.5n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine binding at muscarinic Muscarinic acetylcholine receptor M1 in rat brain P2 membranes.

J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50366775
PNG
(BENZTROPINE | Benzatropine)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20+
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 0.590n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine binding at muscarinic Muscarinic acetylcholine receptor M1 in rat brain P2 membranes.

J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50454828
PNG
(CHEMBL3084907)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1cccc(F)c1)N2C |TLB:9:7:24:2.3|
Show InChI InChI=1S/C21H24FNO/c1-23-18-10-11-19(23)14-20(13-18)24-21(15-6-3-2-4-7-15)16-8-5-9-17(22)12-16/h2-9,12,18-21H,10-11,13-14H2,1H3/t18-,19+,20+,21?
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 0.600n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine binding at muscarinic Muscarinic acetylcholine receptor M1 in rat brain P2 membranes.

J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50454824
PNG
(CHEMBL3084909)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1cccc(F)c1)c1cccc(F)c1)N2C |TLB:9:7:25:2.3|
Show InChI InChI=1S/C21H23F2NO/c1-24-18-8-9-19(24)13-20(12-18)25-21(14-4-2-6-16(22)10-14)15-5-3-7-17(23)11-15/h2-7,10-11,18-21H,8-9,12-13H2,1H3/t18-,19+,20+
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 0.850n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine binding at muscarinic Muscarinic acetylcholine receptor M1 in rat brain P2 membranes.

J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50454829
PNG
(CHEMBL3084870)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1cccc(Cl)c1)N2C |TLB:9:7:24:2.3|
Show InChI InChI=1S/C21H24ClNO/c1-23-18-10-11-19(23)14-20(13-18)24-21(15-6-3-2-4-7-15)16-8-5-9-17(22)12-16/h2-9,12,18-21H,10-11,13-14H2,1H3/t18-,19+,20+,21?
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 0.980n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine binding at muscarinic Muscarinic acetylcholine receptor M1 in rat brain P2 membranes.

J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50454827
PNG
(AMINOBENZTROPINE)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccccc1N)N2C |TLB:9:7:24:2.3|
Show InChI InChI=1S/C21H26N2O/c1-23-16-11-12-17(23)14-18(13-16)24-21(15-7-3-2-4-8-15)19-9-5-6-10-20(19)22/h2-10,16-18,21H,11-14,22H2,1H3/t16-,17+,18+,21?
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 1.10n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine binding at muscarinic Muscarinic acetylcholine receptor M1 in rat brain P2 membranes.

J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM86702
PNG
(3-[(4-Chloro-phenyl)-phenyl-methoxy]-8-methyl-8-az...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)cc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H24ClNO/c1-23-18-11-12-19(23)14-20(13-18)24-21(15-5-3-2-4-6-15)16-7-9-17(22)10-8-16/h2-10,18-21H,11-14H2,1H3
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 1.5n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine binding at muscarinic Muscarinic acetylcholine receptor M1 in rat brain P2 membranes.

J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50454826
PNG
(CHEMBL3084901)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1cccc(c1)C(F)(F)F)N2C |TLB:9:7:27:2.3|
Show InChI InChI=1S/C22H24F3NO/c1-26-18-10-11-19(26)14-20(13-18)27-21(15-6-3-2-4-7-15)16-8-5-9-17(12-16)22(23,24)25/h2-9,12,18-21H,10-11,13-14H2,1H3/t18-,19+,20+,21?
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 2.5n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine binding at muscarinic Muscarinic acetylcholine receptor M1 in rat brain P2 membranes.

J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50454829
PNG
(CHEMBL3084870)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1cccc(Cl)c1)N2C |TLB:9:7:24:2.3|
Show InChI InChI=1S/C21H24ClNO/c1-23-18-10-11-19(23)14-20(13-18)24-21(15-6-3-2-4-7-15)16-8-5-9-17(22)12-16/h2-9,12,18-21H,10-11,13-14H2,1H3/t18-,19+,20+,21?
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 22n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 binding to the dopamine transporter (DAT) in Rat Caudate Putamen

J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM86702
PNG
(3-[(4-Chloro-phenyl)-phenyl-methoxy]-8-methyl-8-az...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)cc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H24ClNO/c1-23-18-11-12-19(23)14-20(13-18)24-21(15-5-3-2-4-6-15)16-7-9-17(22)10-8-16/h2-10,18-21H,11-14H2,1H3
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 30n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 binding to the dopamine transporter (DAT) in Rat Caudate Putamen

J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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 32n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 binding to the dopamine transporter (DAT) in Rat Caudate Putamen

J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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 32n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 binding to the dopamine transporter (DAT) in Rat Caudate Putamen

J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50454824
PNG
(CHEMBL3084909)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1cccc(F)c1)c1cccc(F)c1)N2C |TLB:9:7:25:2.3|
Show InChI InChI=1S/C21H23F2NO/c1-24-18-8-9-19(24)13-20(12-18)25-21(14-4-2-6-16(22)10-14)15-5-3-7-17(23)11-15/h2-7,10-11,18-21H,8-9,12-13H2,1H3/t18-,19+,20+
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 47n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 binding to the dopamine transporter (DAT) in Rat Caudate Putamen

J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50454830
PNG
(CHEMBL3084869)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccccc1F)N2C |TLB:9:7:24:2.3|
Show InChI InChI=1S/C21H24FNO/c1-23-16-11-12-17(23)14-18(13-16)24-21(15-7-3-2-4-8-15)19-9-5-6-10-20(19)22/h2-10,16-18,21H,11-14H2,1H3/t16-,17+,18+,21?
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 50n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 binding to the dopamine transporter (DAT) in Rat Caudate Putamen

J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50454828
PNG
(CHEMBL3084907)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1cccc(F)c1)N2C |TLB:9:7:24:2.3|
Show InChI InChI=1S/C21H24FNO/c1-23-18-10-11-19(23)14-20(13-18)24-21(15-6-3-2-4-7-15)16-8-5-9-17(22)12-16/h2-9,12,18-21H,10-11,13-14H2,1H3/t18-,19+,20+,21?
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 69n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 binding to the dopamine transporter (DAT) in Rat Caudate Putamen

J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50366775
PNG
(BENZTROPINE | Benzatropine)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20+
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 118n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 binding to the dopamine transporter (DAT) in Rat Caudate Putamen

J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50454826
PNG
(CHEMBL3084901)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1cccc(c1)C(F)(F)F)N2C |TLB:9:7:27:2.3|
Show InChI InChI=1S/C22H24F3NO/c1-26-18-10-11-19(26)14-20(13-18)27-21(15-6-3-2-4-7-15)16-8-5-9-17(12-16)22(23,24)25/h2-9,12,18-21H,10-11,13-14H2,1H3/t18-,19+,20+,21?
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 187n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 binding to the dopamine transporter (DAT) in Rat Caudate Putamen

J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50454823
PNG
(CHEMBL3084910)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccccc1Cl)N2C |TLB:9:7:24:2.3|
Show InChI InChI=1S/C21H24ClNO/c1-23-16-11-12-17(23)14-18(13-16)24-21(15-7-3-2-4-8-15)19-9-5-6-10-20(19)22/h2-10,16-18,21H,11-14H2,1H3/t16-,17+,18+,21?
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 228n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 binding to the dopamine transporter (DAT) in Rat Caudate Putamen

J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50454825
PNG
(CHEMBL3084878)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccccc1C)N2C |TLB:9:7:24:3.2|
Show InChI InChI=1S/C22H27NO/c1-16-8-6-7-11-21(16)22(17-9-4-3-5-10-17)24-20-14-18-12-13-19(15-20)23(18)2/h3-11,18-20,22H,12-15H2,1-2H3/t18-,19+,20+,22?
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 309n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 binding to the dopamine transporter (DAT) in Rat Caudate Putamen

J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50454827
PNG
(AMINOBENZTROPINE)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccccc1N)N2C |TLB:9:7:24:2.3|
Show InChI InChI=1S/C21H26N2O/c1-23-16-11-12-17(23)14-18(13-16)24-21(15-7-3-2-4-8-15)19-9-5-6-10-20(19)22/h2-10,16-18,21H,11-14,22H2,1H3/t16-,17+,18+,21?
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 1.84E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 binding to the dopamine transporter (DAT) in Rat Caudate Putamen

J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
[3H]-Dopamine uptake inhibition in rat caudate putamen

J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM86702
PNG
(3-[(4-Chloro-phenyl)-phenyl-methoxy]-8-methyl-8-az...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)cc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C21H24ClNO/c1-23-18-11-12-19(23)14-20(13-18)24-21(15-5-3-2-4-6-15)16-7-9-17(22)10-8-16/h2-10,18-21H,11-14H2,1H3
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n/an/a 115n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
[3H]-Dopamine uptake inhibition in rat caudate putamen

J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50454830
PNG
(CHEMBL3084869)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccccc1F)N2C |TLB:9:7:24:2.3|
Show InChI InChI=1S/C21H24FNO/c1-23-16-11-12-17(23)14-18(13-16)24-21(15-7-3-2-4-8-15)19-9-5-6-10-20(19)22/h2-10,16-18,21H,11-14H2,1H3/t16-,17+,18+,21?
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n/an/a 140n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
[3H]-Dopamine uptake inhibition in rat caudate putamen

J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50454829
PNG
(CHEMBL3084870)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1cccc(Cl)c1)N2C |TLB:9:7:24:2.3|
Show InChI InChI=1S/C21H24ClNO/c1-23-18-10-11-19(23)14-20(13-18)24-21(15-6-3-2-4-7-15)16-8-5-9-17(22)12-16/h2-9,12,18-21H,10-11,13-14H2,1H3/t18-,19+,20+,21?
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n/an/a 228n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
[3H]-Dopamine uptake inhibition in rat caudate putamen

J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50454828
PNG
(CHEMBL3084907)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1cccc(F)c1)N2C |TLB:9:7:24:2.3|
Show InChI InChI=1S/C21H24FNO/c1-23-18-10-11-19(23)14-20(13-18)24-21(15-6-3-2-4-7-15)16-8-5-9-17(22)12-16/h2-9,12,18-21H,10-11,13-14H2,1H3/t18-,19+,20+,21?
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n/an/a 250n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
[3H]-Dopamine uptake inhibition in rat caudate putamen

J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50454827
PNG
(AMINOBENZTROPINE)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccccc1N)N2C |TLB:9:7:24:2.3|
Show InChI InChI=1S/C21H26N2O/c1-23-16-11-12-17(23)14-18(13-16)24-21(15-7-3-2-4-8-15)19-9-5-6-10-20(19)22/h2-10,16-18,21H,11-14,22H2,1H3/t16-,17+,18+,21?
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n/an/a 373n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
[3H]-Dopamine uptake inhibition in rat caudate putamen

J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50366775
PNG
(BENZTROPINE | Benzatropine)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20+
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n/an/a 403n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
[3H]-Dopamine uptake inhibition in rat caudate putamen

J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50454824
PNG
(CHEMBL3084909)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1cccc(F)c1)c1cccc(F)c1)N2C |TLB:9:7:25:2.3|
Show InChI InChI=1S/C21H23F2NO/c1-24-18-8-9-19(24)13-20(12-18)25-21(14-4-2-6-16(22)10-14)15-5-3-7-17(23)11-15/h2-7,10-11,18-21H,8-9,12-13H2,1H3/t18-,19+,20+
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n/an/a 407n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
[3H]-Dopamine uptake inhibition in rat caudate putamen

J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50454826
PNG
(CHEMBL3084901)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1cccc(c1)C(F)(F)F)N2C |TLB:9:7:27:2.3|
Show InChI InChI=1S/C22H24F3NO/c1-26-18-10-11-19(26)14-20(13-18)27-21(15-6-3-2-4-7-15)16-8-5-9-17(12-16)22(23,24)25/h2-9,12,18-21H,10-11,13-14H2,1H3/t18-,19+,20+,21?
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n/an/a 457n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
[3H]-Dopamine uptake inhibition in rat caudate putamen

J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50454823
PNG
(CHEMBL3084910)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccccc1Cl)N2C |TLB:9:7:24:2.3|
Show InChI InChI=1S/C21H24ClNO/c1-23-16-11-12-17(23)14-18(13-16)24-21(15-7-3-2-4-8-15)19-9-5-6-10-20(19)22/h2-10,16-18,21H,11-14H2,1H3/t16-,17+,18+,21?
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n/an/a 997n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
[3H]-Dopamine uptake inhibition in rat caudate putamen

J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50454825
PNG
(CHEMBL3084878)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccccc1C)N2C |TLB:9:7:24:3.2|
Show InChI InChI=1S/C22H27NO/c1-16-8-6-7-11-21(16)22(17-9-4-3-5-10-17)24-20-14-18-12-13-19(15-20)23(18)2/h3-11,18-20,22H,12-15H2,1-2H3/t18-,19+,20+,22?
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n/an/a 1.20E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
[3H]-Dopamine uptake inhibition in rat caudate putamen

J Med Chem 40: 851-7 (1997)


Article DOI: 10.1021/jm950782k
BindingDB Entry DOI: 10.7270/Q21R6R54
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%