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Compile Data Set for Download or QSAR

Found 294 hits with Last Name = 'kline' and Initial = 'rh'   
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 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccccc1Cl
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 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccccc1F
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 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccccc1C
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
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 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1cccc(F)c1
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 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1cccc(F)c1)c1cccc(F)c1
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)
BDBM50366775
PNG
(BENZTROPINE | Benzatropine)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccccc1
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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0.950n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for rat M1 acetylcholine receptor using [3H]pirenzepine displacement.


J Med Chem 38: 3933-40 (1995)


Article DOI: 10.1021/jm00020a006
BindingDB Entry DOI: 10.7270/Q20V8DF2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50454829
PNG
(CHEMBL3084870)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1cccc(Cl)c1
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 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccccc1N
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)
BDBM50453903
PNG
(CHEMBL3084883)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H24FNO/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/t18-,19+,20+,21?
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1.10n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for rat M1 acetylcholine receptor using [3H]pirenzepine displacement.


J Med Chem 38: 3933-40 (1995)


Article DOI: 10.1021/jm00020a006
BindingDB Entry DOI: 10.7270/Q20V8DF2
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
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)
BDBM50453899
PNG
(CHEMBL3084872)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C21H25NO2/c1-22-17-9-10-18(22)14-20(13-17)24-21(15-5-3-2-4-6-15)16-7-11-19(23)12-8-16/h2-8,11-12,17-18,20-21,23H,9-10,13-14H2,1H3/t17-,18+,20+,21?
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2.10n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for rat M1 acetylcholine receptor using [3H]pirenzepine displacement.


J Med Chem 38: 3933-40 (1995)


Article DOI: 10.1021/jm00020a006
BindingDB Entry DOI: 10.7270/Q20V8DF2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50454826
PNG
(CHEMBL3084901)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1cccc(c1)C(F)(F)F
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
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50366775
PNG
(BENZTROPINE | Benzatropine)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccccc1
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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2.60n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for rat M1 acetylcholine receptor using [3H]-AF DX 384 displacement.


J Med Chem 38: 3933-40 (1995)


Article DOI: 10.1021/jm00020a006
BindingDB Entry DOI: 10.7270/Q20V8DF2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50453908
PNG
(CHEMBL3084881)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C22H27NO/c1-16-8-10-18(11-9-16)22(17-6-4-3-5-7-17)24-21-14-19-12-13-20(15-21)23(19)2/h3-11,19-22H,12-15H2,1-2H3/t19-,20+,21+,22?
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2.70n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for rat M1 acetylcholine receptor using [3H]pirenzepine displacement.


J Med Chem 38: 3933-40 (1995)


Article DOI: 10.1021/jm00020a006
BindingDB Entry DOI: 10.7270/Q20V8DF2
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
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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3.60n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for rat M1 acetylcholine receptor using [3H]pirenzepine displacement.


J Med Chem 38: 3933-40 (1995)


Article DOI: 10.1021/jm00020a006
BindingDB Entry DOI: 10.7270/Q20V8DF2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50453905
PNG
(CHEMBL3084882)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C21H24BrNO/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/t18-,19+,20+,21?
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3.70n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for rat M1 acetylcholine receptor using [3H]pirenzepine displacement.


J Med Chem 38: 3933-40 (1995)


Article DOI: 10.1021/jm00020a006
BindingDB Entry DOI: 10.7270/Q20V8DF2
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
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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4.10n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for rat M1 acetylcholine receptor using [3H]pirenzepine displacement.


J Med Chem 38: 3933-40 (1995)


Article DOI: 10.1021/jm00020a006
BindingDB Entry DOI: 10.7270/Q20V8DF2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50453909
PNG
(CHEMBL3084880)
Show SMILES COc1ccc(cc1)C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-23-18-10-11-19(23)15-21(14-18)25-22(16-6-4-3-5-7-16)17-8-12-20(24-2)13-9-17/h3-9,12-13,18-19,21-22H,10-11,14-15H2,1-2H3/t18-,19+,21+,22?
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4.20n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for rat M1 acetylcholine receptor using [3H]pirenzepine displacement.


J Med Chem 38: 3933-40 (1995)


Article DOI: 10.1021/jm00020a006
BindingDB Entry DOI: 10.7270/Q20V8DF2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50453906
PNG
(CHEMBL3084873)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H24F3NO/c1-26-18-11-12-19(26)14-20(13-18)27-21(15-5-3-2-4-6-15)16-7-9-17(10-8-16)22(23,24)25/h2-10,18-21H,11-14H2,1H3/t18-,19+,20+,21?
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5.40n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for rat M1 acetylcholine receptor using [3H]pirenzepine displacement.


J Med Chem 38: 3933-40 (1995)


Article DOI: 10.1021/jm00020a006
BindingDB Entry DOI: 10.7270/Q20V8DF2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM86701
PNG
(3-(bis(4-fluorophenyl)methoxy)-8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H23F2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
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6.10n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for rat M1 acetylcholine receptor using [3H]pirenzepine displacement.


J Med Chem 38: 3933-40 (1995)


Article DOI: 10.1021/jm00020a006
BindingDB Entry DOI: 10.7270/Q20V8DF2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50453911
PNG
(CHEMBL3084899)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H24N2O3/c1-22-18-11-12-19(22)14-20(13-18)26-21(15-5-3-2-4-6-15)16-7-9-17(10-8-16)23(24)25/h2-10,18-21H,11-14H2,1H3/t18-,19+,20+,21?
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7.10n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for rat M1 acetylcholine receptor using [3H]pirenzepine displacement.


J Med Chem 38: 3933-40 (1995)


Article DOI: 10.1021/jm00020a006
BindingDB Entry DOI: 10.7270/Q20V8DF2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50453907
PNG
(CHEMBL3084900)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C22H24N2O/c1-24-19-11-12-20(24)14-21(13-19)25-22(17-5-3-2-4-6-17)18-9-7-16(15-23)8-10-18/h2-10,19-22H,11-14H2,1H3/t19-,20+,21+,22?
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7.10n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for rat M1 acetylcholine receptor using [3H]pirenzepine displacement.


J Med Chem 38: 3933-40 (1995)


Article DOI: 10.1021/jm00020a006
BindingDB Entry DOI: 10.7270/Q20V8DF2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50450532
PNG
(CHEMBL2308105)
Show SMILES Fc1ccc(cc1)C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C30H33F2NO/c31-25-13-9-23(10-14-25)30(24-11-15-26(32)16-12-24)34-29-20-27-17-18-28(21-29)33(27)19-5-4-8-22-6-2-1-3-7-22/h1-3,6-7,9-16,27-30H,4-5,8,17-21H2/t27-,28+,29+
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8.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.


J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM86701
PNG
(3-(bis(4-fluorophenyl)methoxy)-8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H23F2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
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9n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 sites of rat


J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50061877
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicyclo[3....)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2)c1ccc(F)cc1
Show InChI InChI=1S/C20H21F2NO/c21-15-5-1-13(2-6-15)20(14-3-7-16(22)8-4-14)24-19-11-17-9-10-18(12-19)23-17/h1-8,17-20,23H,9-12H2
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9.70n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro inhibition of dopamine uptake in rat tissue, was determined using [3H]-DAU as radioligand


J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50056790
PNG
(3-(8-Methyl-3-phenyl-8-aza-bicyclo[3.2.1]oct-2-yl)...)
Show SMILES CN1C2CCC1C(CCCO)C(C2)c1ccccc1
Show InChI InChI=1S/C17H25NO/c1-18-14-9-10-17(18)15(8-5-11-19)16(12-14)13-6-3-2-4-7-13/h2-4,6-7,14-17,19H,5,8-12H2,1H3
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11n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


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


J Med Chem 40: 858-63 (1997)


Article DOI: 10.1021/jm960739c
BindingDB Entry DOI: 10.7270/Q2X067QK
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50061877
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicyclo[3....)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2)c1ccc(F)cc1
Show InChI InChI=1S/C20H21F2NO/c21-15-5-1-13(2-6-15)20(14-3-7-16(22)8-4-14)24-19-11-17-9-10-18(12-19)23-17/h1-8,17-20,23H,9-12H2
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11.2n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.


J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
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12n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for rat dopamine transporter using [3H]WIN-35428 displacement.


J Med Chem 38: 3933-40 (1995)


Article DOI: 10.1021/jm00020a006
BindingDB Entry DOI: 10.7270/Q20V8DF2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM86701
PNG
(3-(bis(4-fluorophenyl)methoxy)-8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H23F2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
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12n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for rat dopamine transporter using [3H]WIN-35428 displacement.


J Med Chem 38: 3933-40 (1995)


Article DOI: 10.1021/jm00020a006
BindingDB Entry DOI: 10.7270/Q20V8DF2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM86701
PNG
(3-(bis(4-fluorophenyl)methoxy)-8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H23F2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
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12n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.


J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM86701
PNG
(3-(bis(4-fluorophenyl)methoxy)-8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H23F2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
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12n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 binding to the dopamine transporter in rat caudate putamen tissue.


J Med Chem 42: 3502-9 (1999)


Article DOI: 10.1021/jm980701v
BindingDB Entry DOI: 10.7270/Q2VD705D
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50453896
PNG
(CHEMBL3084898)
Show SMILES CCc1ccc(cc1)C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-3-17-9-11-19(12-10-17)23(18-7-5-4-6-8-18)25-22-15-20-13-14-21(16-22)24(20)2/h4-12,20-23H,3,13-16H2,1-2H3/t20-,21+,22+,23?
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13n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for rat M1 acetylcholine receptor using [3H]pirenzepine displacement.


J Med Chem 38: 3933-40 (1995)


Article DOI: 10.1021/jm00020a006
BindingDB Entry DOI: 10.7270/Q20V8DF2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50453904
PNG
(CHEMBL3084892)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H23Cl2NO/c1-24-16-8-9-17(24)13-18(12-16)25-21(14-5-3-2-4-6-14)15-7-10-19(22)20(23)11-15/h2-7,10-11,16-18,21H,8-9,12-13H2,1H3/t16-,17+,18+,21?
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13n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for rat M1 acetylcholine receptor using [3H]pirenzepine displacement.


J Med Chem 38: 3933-40 (1995)


Article DOI: 10.1021/jm00020a006
BindingDB Entry DOI: 10.7270/Q20V8DF2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50061884
PNG
(8-Allyl-3-[bis-(4-fluoro-phenyl)-methoxy]-8-aza-bi...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CC=C)c1ccc(F)cc1
Show InChI InChI=1S/C23H25F2NO/c1-2-13-26-20-11-12-21(26)15-22(14-20)27-23(16-3-7-18(24)8-4-16)17-5-9-19(25)10-6-17/h2-10,20-23H,1,11-15H2
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14n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro inhibition of dopamine uptake in rat tissue, was determined using [3H]-DAU as radioligand


J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50080418
PNG
(3-[(4-Bromo-phenyl)-(4-fluoro-phenyl)-methoxy]-8-m...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C21H23BrFNO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
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15n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 binding to the dopamine transporter in rat caudate putamen tissue.


J Med Chem 42: 3502-9 (1999)


Article DOI: 10.1021/jm980701v
BindingDB Entry DOI: 10.7270/Q2VD705D
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50453903
PNG
(CHEMBL3084883)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H24FNO/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/t18-,19+,20+,21?
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15n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for rat M1 acetylcholine receptor using [3H]-AF DX 384 displacement.


J Med Chem 38: 3933-40 (1995)


Article DOI: 10.1021/jm00020a006
BindingDB Entry DOI: 10.7270/Q20V8DF2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50056789
PNG
(8-Methyl-3-phenyl-2-(3-phenyl-propyl)-8-aza-bicycl...)
Show SMILES CN1C2CCC1C(CCCc1ccccc1)C(C2)c1ccccc1
Show InChI InChI=1S/C23H29N/c1-24-20-15-16-23(24)21(14-8-11-18-9-4-2-5-10-18)22(17-20)19-12-6-3-7-13-19/h2-7,9-10,12-13,20-23H,8,11,14-17H2,1H3
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16n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


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


J Med Chem 40: 858-63 (1997)


Article DOI: 10.1021/jm960739c
BindingDB Entry DOI: 10.7270/Q2X067QK
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50052734
PNG
(8-Chloro-3-[(E)-3-(4-dimethylamino-phenyl)-allyl]-...)
Show SMILES CN(C)c1ccc(\C=C\CN2CCc3cc(Cl)c(O)cc3C(C2)c2ccccc2)cc1
Show InChI InChI=1S/C27H29ClN2O/c1-29(2)23-12-10-20(11-13-23)7-6-15-30-16-14-22-17-26(28)27(31)18-24(22)25(19-30)21-8-4-3-5-9-21/h3-13,17-18,25,31H,14-16,19H2,1-2H3/b7-6+
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18n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Dopamine receptor D1 antagonistic activity as ability to block dopamine-stimulated adenylate cyclase in rat caudate


J Med Chem 39: 3423-8 (1996)


Article DOI: 10.1021/jm960143p
BindingDB Entry DOI: 10.7270/Q26D5S3C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50453899
PNG
(CHEMBL3084872)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C21H25NO2/c1-22-17-9-10-18(22)14-20(13-17)24-21(15-5-3-2-4-6-15)16-7-11-19(23)12-8-16/h2-8,11-12,17-18,20-21,23H,9-10,13-14H2,1H3/t17-,18+,20+,21?
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18n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for rat M1 acetylcholine receptor using [3H]-AF DX 384 displacement.


J Med Chem 38: 3933-40 (1995)


Article DOI: 10.1021/jm00020a006
BindingDB Entry DOI: 10.7270/Q20V8DF2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453910
PNG
(CHEMBL3084896)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H22Cl2FNO/c1-25-16-7-8-17(25)12-18(11-16)26-21(13-2-5-15(24)6-3-13)14-4-9-19(22)20(23)10-14/h2-6,9-10,16-18,21H,7-8,11-12H2,1H3/t16-,17+,18+,21?
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19n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for rat dopamine transporter using [3H]WIN-35428 displacement.


J Med Chem 38: 3933-40 (1995)


Article DOI: 10.1021/jm00020a006
BindingDB Entry DOI: 10.7270/Q20V8DF2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50453909
PNG
(CHEMBL3084880)
Show SMILES COc1ccc(cc1)C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-23-18-10-11-19(23)15-21(14-18)25-22(16-6-4-3-5-7-16)17-8-12-20(24-2)13-9-17/h3-9,12-13,18-19,21-22H,10-11,14-15H2,1-2H3/t18-,19+,21+,22?
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19n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for rat M1 acetylcholine receptor using [3H]-AF DX 384 displacement.


J Med Chem 38: 3933-40 (1995)


Article DOI: 10.1021/jm00020a006
BindingDB Entry DOI: 10.7270/Q20V8DF2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50080433
PNG
(3-[(3,4-Dichloro-phenyl)-(4-fluoro-phenyl)-methoxy...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H22Cl2FNO/c1-25-16-7-8-17(25)12-18(11-16)26-21(13-2-5-15(24)6-3-13)14-4-9-19(22)20(23)10-14/h2-6,9-10,16-18,21H,7-8,11-12H2,1H3
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19n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 binding to the dopamine transporter in rat caudate putamen tissue.


J Med Chem 42: 3502-9 (1999)


Article DOI: 10.1021/jm980701v
BindingDB Entry DOI: 10.7270/Q2VD705D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50039177
PNG
(3-[Bis-(4-chloro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23Cl2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
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20n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 binding to the dopamine transporter in rat caudate putamen tissue.


J Med Chem 42: 3502-9 (1999)


Article DOI: 10.1021/jm980701v
BindingDB Entry DOI: 10.7270/Q2VD705D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50056793
PNG
((E)-5-(8-Methyl-3-phenyl-8-aza-bicyclo[3.2.1]oct-2...)
Show SMILES COC(=O)\C=C\CCC1C2CCC(CC1c1ccccc1)N2C
Show InChI InChI=1S/C20H27NO2/c1-21-16-12-13-19(21)17(10-6-7-11-20(22)23-2)18(14-16)15-8-4-3-5-9-15/h3-5,7-9,11,16-19H,6,10,12-14H2,1-2H3/b11-7+
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20n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


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


J Med Chem 40: 858-63 (1997)


Article DOI: 10.1021/jm960739c
BindingDB Entry DOI: 10.7270/Q2X067QK
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50450529
PNG
(CHEMBL3084934)
Show SMILES [O-][N+](=O)c1ccc(CCCCN2[C@H]3CC[C@@H]2C[C@@H](C3)OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C30H32F2N2O3/c31-24-10-6-22(7-11-24)30(23-8-12-25(32)13-9-23)37-29-19-27-16-17-28(20-29)33(27)18-2-1-3-21-4-14-26(15-5-21)34(35)36/h4-15,27-30H,1-3,16-20H2/t27-,28+,29+
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20n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.


J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453902
PNG
(CHEMBL3084884)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23Cl2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3/t18-,19+,20+
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20n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for rat dopamine transporter using [3H]WIN-35428 displacement.


J Med Chem 38: 3933-40 (1995)


Article DOI: 10.1021/jm00020a006
BindingDB Entry DOI: 10.7270/Q20V8DF2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453904
PNG
(CHEMBL3084892)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H23Cl2NO/c1-24-16-8-9-17(24)13-18(12-16)25-21(14-5-3-2-4-6-14)15-7-10-19(22)20(23)11-15/h2-7,10-11,16-18,21H,8-9,12-13H2,1H3/t16-,17+,18+,21?
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21n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for rat dopamine transporter using [3H]WIN-35428 displacement.


J Med Chem 38: 3933-40 (1995)


Article DOI: 10.1021/jm00020a006
BindingDB Entry DOI: 10.7270/Q20V8DF2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50080438
PNG
(3-[(3,4-Dichloro-phenyl)-phenyl-methoxy]-8-methyl-...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H23Cl2NO/c1-24-16-8-9-17(24)13-18(12-16)25-21(14-5-3-2-4-6-14)15-7-10-19(22)20(23)11-15/h2-7,10-11,16-18,21H,8-9,12-13H2,1H3
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21n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 binding to the dopamine transporter in rat caudate putamen tissue.


J Med Chem 42: 3502-9 (1999)


Article DOI: 10.1021/jm980701v
BindingDB Entry DOI: 10.7270/Q2VD705D
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50029340
PNG
(8-Chloro-3-(6-dimethylamino-hexyl)-5-phenyl-2,3,4,...)
Show SMILES CN(C)CCCCCCN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1
Show InChI InChI=1S/C24H33ClN2O/c1-26(2)13-8-3-4-9-14-27-15-12-20-16-23(25)24(28)17-21(20)22(18-27)19-10-6-5-7-11-19/h5-7,10-11,16-17,22,28H,3-4,8-9,12-15,18H2,1-2H3
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21n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Dopamine receptor D1 antagonistic activity as ability to block dopamine-stimulated adenylate cyclase in rat caudate


J Med Chem 39: 3423-8 (1996)


Article DOI: 10.1021/jm960143p
BindingDB Entry DOI: 10.7270/Q26D5S3C
More data for this
Ligand-Target Pair
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