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Compile Data Set for Download or QSAR

Found 146 hits with Last Name = 'chakrabarti' and Initial = 'jk'   
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/M2/M3/M4/M5


(RAT)
BDBM50223718
PNG
(CHEMBL273788)
Show SMILES CN1CCN(CC1)C1=Nc2cc(F)ccc2Nc2sc(C)c(C)c12 |t:8|
Show InChI InChI=1S/C18H21FN4S/c1-11-12(2)24-18-16(11)17(23-8-6-22(3)7-9-23)20-15-10-13(19)4-5-14(15)21-18/h4-5,10,21H,6-9H2,1-3H3
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from Muscarinic acetylcholine receptor of rat brain membrane


J Med Chem 25: 1133-40 (1982)


BindingDB Entry DOI: 10.7270/Q2K64M9Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50452855
PNG
(Isoptpo Hyoscine | Scopolamine)
Show SMILES [H][C@@]12O[C@@]1([H])[C@]1([H])C[C@@H](C[C@@]2([H])N1C)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:14:8:12:1.3,2:1:12:8.7.9,2:3:12:8.7.9|
Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15+,16+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from Muscarinic acetylcholine receptor of rat brain membrane


J Med Chem 25: 1133-40 (1982)


BindingDB Entry DOI: 10.7270/Q2K64M9Z
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50223771
PNG
(CHEMBL14668)
Show SMILES CCc1cc2c(Nc3ccc(F)cc3N=C2N2CCN(C)CC2)s1 |c:15|
Show InChI InChI=1S/C18H21FN4S/c1-3-13-11-14-17(23-8-6-22(2)7-9-23)20-16-10-12(19)4-5-15(16)21-18(14)24-13/h4-5,10-11,21H,3,6-9H2,1-2H3
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from Dopamine receptor of rat striatum membrane


J Med Chem 25: 1133-40 (1982)


BindingDB Entry DOI: 10.7270/Q2K64M9Z
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


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



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from Dopamine receptor of rat striatum membrane


J Med Chem 25: 1133-40 (1982)


BindingDB Entry DOI: 10.7270/Q2K64M9Z
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50017536
PNG
((Flumezapine)7-Fluoro-2-methyl-10-(4-methyl-pipera...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(F)ccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H19FN4S/c1-11-9-13-16(22-7-5-21(2)6-8-22)19-15-10-12(18)3-4-14(15)20-17(13)23-11/h3-4,9-10,20H,5-8H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from Dopamine receptor of rat striatum membrane


J Med Chem 25: 1133-40 (1982)


BindingDB Entry DOI: 10.7270/Q2K64M9Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50017536
PNG
((Flumezapine)7-Fluoro-2-methyl-10-(4-methyl-pipera...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(F)ccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H19FN4S/c1-11-9-13-16(22-7-5-21(2)6-8-22)19-15-10-12(18)3-4-14(15)20-17(13)23-11/h3-4,9-10,20H,5-8H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Lilly Research Centre Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in calf caudate tissue using [3H]spiperone


J Med Chem 32: 2375-81 (1989)


BindingDB Entry DOI: 10.7270/Q2FN16RX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017536
PNG
((Flumezapine)7-Fluoro-2-methyl-10-(4-methyl-pipera...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(F)ccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H19FN4S/c1-11-9-13-16(22-7-5-21(2)6-8-22)19-15-10-12(18)3-4-14(15)20-17(13)23-11/h3-4,9-10,20H,5-8H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Lilly Research Centre Limited

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to dopamine receptor D2 from rat brain striatum


J Med Chem 32: 2573-82 (1989)


BindingDB Entry DOI: 10.7270/Q22F7P2J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50223714
PNG
(CHEMBL14995)
Show SMILES CCc1c(C)sc2Nc3ccc(F)cc3N=C(N3CCN(C)CC3)c12 |t:16|
Show InChI InChI=1S/C19H23FN4S/c1-4-14-12(2)25-19-17(14)18(24-9-7-23(3)8-10-24)21-16-11-13(20)5-6-15(16)22-19/h5-6,11,22H,4,7-10H2,1-3H3
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n/an/a 26n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from Muscarinic acetylcholine receptor of rat brain membrane


J Med Chem 25: 1133-40 (1982)


BindingDB Entry DOI: 10.7270/Q2K64M9Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50223662
PNG
(CHEMBL276753)
Show SMILES CC(C)c1csc2Nc3ccc(F)cc3N=C(N3CCN(C)CC3)c12 |t:16|
Show InChI InChI=1S/C19H23FN4S/c1-12(2)14-11-25-19-17(14)18(24-8-6-23(3)7-9-24)21-16-10-13(20)4-5-15(16)22-19/h4-5,10-12,22H,6-9H2,1-3H3
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n/an/a 26n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from Muscarinic acetylcholine receptor of rat brain membrane


J Med Chem 25: 1133-40 (1982)


BindingDB Entry DOI: 10.7270/Q2K64M9Z
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50223713
PNG
(CHEMBL276095)
Show SMILES CCc1cc2c(Nc3ccc(F)cc3N=C2N2CCN(C)C(C)C2)s1 |c:15|
Show InChI InChI=1S/C19H23FN4S/c1-4-14-10-15-18(24-8-7-23(3)12(2)11-24)21-17-9-13(20)5-6-16(17)22-19(15)25-14/h5-6,9-10,12,22H,4,7-8,11H2,1-3H3
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n/an/a 31n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from Dopamine receptor of rat striatum membrane


J Med Chem 25: 1133-40 (1982)


BindingDB Entry DOI: 10.7270/Q2K64M9Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50223663
PNG
(CHEMBL14766)
Show SMILES CN1CCN(CC1)C1=Nc2cc(F)ccc2Nc2sc3CCCCc3c12 |t:8|
Show InChI InChI=1S/C20H23FN4S/c1-24-8-10-25(11-9-24)19-18-14-4-2-3-5-17(14)26-20(18)23-15-7-6-13(21)12-16(15)22-19/h6-7,12,23H,2-5,8-11H2,1H3
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n/an/a 34n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from Muscarinic acetylcholine receptor of rat brain membrane


J Med Chem 25: 1133-40 (1982)


BindingDB Entry DOI: 10.7270/Q2K64M9Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50223659
PNG
(CHEMBL14427)
Show SMILES CC(C)c1c(C)sc2Nc3ccc(F)cc3N=C(N3CCN(C)CC3)c12 |t:17|
Show InChI InChI=1S/C20H25FN4S/c1-12(2)17-13(3)26-20-18(17)19(25-9-7-24(4)8-10-25)22-16-11-14(21)5-6-15(16)23-20/h5-6,11-12,23H,7-10H2,1-4H3
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n/an/a 64n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from Muscarinic acetylcholine receptor of rat brain membrane


J Med Chem 25: 1133-40 (1982)


BindingDB Entry DOI: 10.7270/Q2K64M9Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50017524
PNG
(7-Chloro-2-ethyl-10-(4-methyl-piperazin-1-yl)-2,4-...)
Show SMILES CCn1nc2Nc3ccc(Cl)cc3N=C(N3CCN(C)CC3)c2n1 |t:14|
Show InChI InChI=1S/C16H20ClN7/c1-3-24-20-14-15(21-24)18-12-5-4-11(17)10-13(12)19-16(14)23-8-6-22(2)7-9-23/h4-5,10H,3,6-9H2,1-2H3,(H,18,21)
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n/an/a 67n/an/an/an/an/an/a



Lilly Research Centre Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in calf caudate tissue using [3H]spiperone


J Med Chem 32: 2375-81 (1989)


BindingDB Entry DOI: 10.7270/Q2FN16RX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50017536
PNG
((Flumezapine)7-Fluoro-2-methyl-10-(4-methyl-pipera...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(F)ccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H19FN4S/c1-11-9-13-16(22-7-5-21(2)6-8-22)19-15-10-12(18)3-4-14(15)20-17(13)23-11/h3-4,9-10,20H,5-8H2,1-2H3
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n/an/a 74n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from Muscarinic acetylcholine receptor of rat brain membrane


J Med Chem 25: 1133-40 (1982)


BindingDB Entry DOI: 10.7270/Q2K64M9Z
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50223659
PNG
(CHEMBL14427)
Show SMILES CC(C)c1c(C)sc2Nc3ccc(F)cc3N=C(N3CCN(C)CC3)c12 |t:17|
Show InChI InChI=1S/C20H25FN4S/c1-12(2)17-13(3)26-20-18(17)19(25-9-7-24(4)8-10-25)22-16-11-14(21)5-6-15(16)23-20/h5-6,11-12,23H,7-10H2,1-4H3
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n/an/a 75n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from Dopamine receptor of rat striatum membrane


J Med Chem 25: 1133-40 (1982)


BindingDB Entry DOI: 10.7270/Q2K64M9Z
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50223663
PNG
(CHEMBL14766)
Show SMILES CN1CCN(CC1)C1=Nc2cc(F)ccc2Nc2sc3CCCCc3c12 |t:8|
Show InChI InChI=1S/C20H23FN4S/c1-24-8-10-25(11-9-24)19-18-14-4-2-3-5-17(14)26-20(18)23-15-7-6-13(21)12-16(15)22-19/h6-7,12,23H,2-5,8-11H2,1H3
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n/an/a 77n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from Dopamine receptor of rat striatum membrane


J Med Chem 25: 1133-40 (1982)


BindingDB Entry DOI: 10.7270/Q2K64M9Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50017536
PNG
((Flumezapine)7-Fluoro-2-methyl-10-(4-methyl-pipera...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(F)ccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H19FN4S/c1-11-9-13-16(22-7-5-21(2)6-8-22)19-15-10-12(18)3-4-14(15)20-17(13)23-11/h3-4,9-10,20H,5-8H2,1-2H3
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n/an/a 80n/an/an/an/an/an/a



Lilly Research Centre Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against muscarinic cholinergic receptors in male olac rat brain, using [3H]QNB as the radioligand


J Med Chem 32: 2375-81 (1989)


BindingDB Entry DOI: 10.7270/Q2FN16RX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50017536
PNG
((Flumezapine)7-Fluoro-2-methyl-10-(4-methyl-pipera...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(F)ccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H19FN4S/c1-11-9-13-16(22-7-5-21(2)6-8-22)19-15-10-12(18)3-4-14(15)20-17(13)23-11/h3-4,9-10,20H,5-8H2,1-2H3
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n/an/a 80n/an/an/an/an/an/a



Lilly Research Centre Limited

Curated by ChEMBL


Assay Description
50% inhibitory concentration against human carbonic anhydrase II (HCA II) after pre-incubation at 3 degree C


J Med Chem 32: 2573-82 (1989)


BindingDB Entry DOI: 10.7270/Q22F7P2J
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50223712
PNG
(CHEMBL274043)
Show SMILES CCc1cc2c(Nc3ccc(F)cc3N=C2N2CC(C)N(C)C(C)C2)s1 |c:15|
Show InChI InChI=1S/C20H25FN4S/c1-5-15-9-16-19(25-10-12(2)24(4)13(3)11-25)22-18-8-14(21)6-7-17(18)23-20(16)26-15/h6-9,12-13,23H,5,10-11H2,1-4H3
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n/an/a 91n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from Dopamine receptor of rat striatum membrane


J Med Chem 25: 1133-40 (1982)


BindingDB Entry DOI: 10.7270/Q2K64M9Z
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50223711
PNG
(CHEMBL278473)
Show SMILES CCc1cc2c(Nc3ccc(F)cc3N=C2N2CC(C)N(C)CC2C)s1 |c:15|
Show InChI InChI=1S/C20H25FN4S/c1-5-15-9-16-19(25-11-12(2)24(4)10-13(25)3)22-18-8-14(21)6-7-17(18)23-20(16)26-15/h6-9,12-13,23H,5,10-11H2,1-4H3
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from Dopamine receptor of rat striatum membrane


J Med Chem 25: 1133-40 (1982)


BindingDB Entry DOI: 10.7270/Q2K64M9Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50223713
PNG
(CHEMBL276095)
Show SMILES CCc1cc2c(Nc3ccc(F)cc3N=C2N2CCN(C)C(C)C2)s1 |c:15|
Show InChI InChI=1S/C19H23FN4S/c1-4-14-10-15-18(24-8-7-23(3)12(2)11-24)21-17-9-13(20)5-6-16(17)22-19(15)25-14/h5-6,9-10,12,22H,4,7-8,11H2,1-3H3
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n/an/a 97n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from Muscarinic acetylcholine receptor of rat brain membrane


J Med Chem 25: 1133-40 (1982)


BindingDB Entry DOI: 10.7270/Q2K64M9Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50223660
PNG
(CHEMBL14605)
Show SMILES CN1CCN(CC1)C1=Nc2cc(F)ccc2Nc2scc(C)c12 |t:8|
Show InChI InChI=1S/C17H19FN4S/c1-11-10-23-17-15(11)16(22-7-5-21(2)6-8-22)19-14-9-12(18)3-4-13(14)20-17/h3-4,9-10,20H,5-8H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from Muscarinic acetylcholine receptor of rat brain membrane


J Med Chem 25: 1133-40 (1982)


BindingDB Entry DOI: 10.7270/Q2K64M9Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50223771
PNG
(CHEMBL14668)
Show SMILES CCc1cc2c(Nc3ccc(F)cc3N=C2N2CCN(C)CC2)s1 |c:15|
Show InChI InChI=1S/C18H21FN4S/c1-3-13-11-14-17(23-8-6-22(2)7-9-23)20-16-10-12(19)4-5-15(16)21-18(14)24-13/h4-5,10-11,21H,3,6-9H2,1-2H3
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from Muscarinic acetylcholine receptor of rat brain membrane


J Med Chem 25: 1133-40 (1982)


BindingDB Entry DOI: 10.7270/Q2K64M9Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017646
PNG
(7-Chloro-2-cyclopentyl-10-(4-methyl-piperazin-1-yl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2nn(cc12)C1CCCC1 |t:8|
Show InChI InChI=1S/C20H25ClN6/c1-25-8-10-26(11-9-25)20-16-13-27(15-4-2-3-5-15)24-19(16)22-17-7-6-14(21)12-18(17)23-20/h6-7,12-13,15H,2-5,8-11H2,1H3,(H,22,24)
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n/an/a 140n/an/an/an/an/an/a



Lilly Research Centre Limited

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to dopamine receptor D2 from rat brain striatum


J Med Chem 32: 2573-82 (1989)


BindingDB Entry DOI: 10.7270/Q22F7P2J
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50223714
PNG
(CHEMBL14995)
Show SMILES CCc1c(C)sc2Nc3ccc(F)cc3N=C(N3CCN(C)CC3)c12 |t:16|
Show InChI InChI=1S/C19H23FN4S/c1-4-14-12(2)25-19-17(14)18(24-9-7-23(3)8-10-24)21-16-11-13(20)5-6-15(16)22-19/h5-6,11,22H,4,7-10H2,1-3H3
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from Dopamine receptor of rat striatum membrane


J Med Chem 25: 1133-40 (1982)


BindingDB Entry DOI: 10.7270/Q2K64M9Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a 179n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from Muscarinic acetylcholine receptor of rat brain membrane


J Med Chem 25: 1133-40 (1982)


BindingDB Entry DOI: 10.7270/Q2K64M9Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a 180n/an/an/an/an/an/a



Lilly Research Centre Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against Muscarinic acetylcholine receptor in male olac rat brain, using [3H]-QNB as the radioligand


J Med Chem 32: 2375-81 (1989)


BindingDB Entry DOI: 10.7270/Q2FN16RX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017634
PNG
(7-Fluoro-10-(4-methyl-piperazin-1-yl)-2-propyl-2,4...)
Show SMILES CCCn1cc2c(Nc3ccc(F)cc3N=C2N2CCN(C)CC2)n1 |c:16|
Show InChI InChI=1S/C18H23FN6/c1-3-6-25-12-14-17(22-25)20-15-5-4-13(19)11-16(15)21-18(14)24-9-7-23(2)8-10-24/h4-5,11-12H,3,6-10H2,1-2H3,(H,20,22)
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n/an/a 180n/an/an/an/an/an/a



Lilly Research Centre Limited

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to Dopamine receptor D2 from striatum of the rat brain


J Med Chem 32: 2573-82 (1989)


BindingDB Entry DOI: 10.7270/Q22F7P2J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a 180n/an/an/an/an/an/a



Lilly Research Centre Limited

Curated by ChEMBL


Assay Description
The equilibrium dissociation constant of the inhibitor-enzyme complex of human carbonic anhydrase


J Med Chem 32: 2573-82 (1989)


BindingDB Entry DOI: 10.7270/Q22F7P2J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50017521
PNG
(2-Ethyl-7-fluoro-10-(4-methyl-piperazin-1-yl)-2,4-...)
Show SMILES CCn1nc2Nc3ccc(F)cc3N=C(N3CCN(C)CC3)c2n1 |t:14|
Show InChI InChI=1S/C16H20FN7/c1-3-24-20-14-15(21-24)18-12-5-4-11(17)10-13(12)19-16(14)23-8-6-22(2)7-9-23/h4-5,10H,3,6-9H2,1-2H3,(H,18,21)
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n/an/a 180n/an/an/an/an/an/a



Lilly Research Centre Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against dopamine receptor D2 in calf caudate tissue using [3H]spiperone


J Med Chem 32: 2375-81 (1989)


BindingDB Entry DOI: 10.7270/Q2FN16RX
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50223662
PNG
(CHEMBL276753)
Show SMILES CC(C)c1csc2Nc3ccc(F)cc3N=C(N3CCN(C)CC3)c12 |t:16|
Show InChI InChI=1S/C19H23FN4S/c1-12(2)14-11-25-19-17(14)18(24-8-6-23(3)7-9-24)21-16-10-13(20)4-5-15(16)22-19/h4-5,10-12,22H,6-9H2,1-3H3
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from Dopamine receptor of rat striatum membrane


J Med Chem 25: 1133-40 (1982)


BindingDB Entry DOI: 10.7270/Q2K64M9Z
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50223661
PNG
(CHEMBL276754)
Show SMILES CN1CCN(CC1)C1=Nc2cc(F)ccc2Nc2sccc12 |t:8|
Show InChI InChI=1S/C16H17FN4S/c1-20-5-7-21(8-6-20)15-12-4-9-22-16(12)19-13-3-2-11(17)10-14(13)18-15/h2-4,9-10,19H,5-8H2,1H3
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n/an/a 199n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from Dopamine receptor of rat striatum membrane


J Med Chem 25: 1133-40 (1982)


BindingDB Entry DOI: 10.7270/Q2K64M9Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50017527
PNG
(7-Chloro-2-methyl-10-(4-methyl-piperazin-1-yl)-2,4...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2nn(C)nc12 |t:8|
Show InChI InChI=1S/C15H18ClN7/c1-21-5-7-23(8-6-21)15-13-14(20-22(2)19-13)17-11-4-3-10(16)9-12(11)18-15/h3-4,9H,5-8H2,1-2H3,(H,17,20)
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n/an/a 210n/an/an/an/an/an/a



Lilly Research Centre Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 in calf caudate tissue, using [3H]spiperone as the radioligand


J Med Chem 32: 2375-81 (1989)


BindingDB Entry DOI: 10.7270/Q2FN16RX
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50223718
PNG
(CHEMBL273788)
Show SMILES CN1CCN(CC1)C1=Nc2cc(F)ccc2Nc2sc(C)c(C)c12 |t:8|
Show InChI InChI=1S/C18H21FN4S/c1-11-12(2)24-18-16(11)17(23-8-6-22(3)7-9-23)20-15-10-13(19)4-5-14(15)21-18/h4-5,10,21H,6-9H2,1-3H3
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from Dopamine receptor of rat striatum membrane


J Med Chem 25: 1133-40 (1982)


BindingDB Entry DOI: 10.7270/Q2K64M9Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50223711
PNG
(CHEMBL278473)
Show SMILES CCc1cc2c(Nc3ccc(F)cc3N=C2N2CC(C)N(C)CC2C)s1 |c:15|
Show InChI InChI=1S/C20H25FN4S/c1-5-15-9-16-19(25-11-12(2)24(4)10-13(25)3)22-18-8-14(21)6-7-17(18)23-20(16)26-15/h6-9,12-13,23H,5,10-11H2,1-4H3
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n/an/a 247n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from Muscarinic acetylcholine receptor of rat brain membrane


J Med Chem 25: 1133-40 (1982)


BindingDB Entry DOI: 10.7270/Q2K64M9Z
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a 247n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from Dopamine receptor of rat striatum membrane


J Med Chem 25: 1133-40 (1982)


BindingDB Entry DOI: 10.7270/Q2K64M9Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a 250n/an/an/an/an/an/a



Lilly Research Centre Limited

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to Dopamine receptor D2 from striatum of the rat brain


J Med Chem 32: 2573-82 (1989)


BindingDB Entry DOI: 10.7270/Q22F7P2J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a 250n/an/an/an/an/an/a



Lilly Research Centre Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against dDopamine receptor D2 in calf caudate tissue, using [3H]spiperone as the radioligand


J Med Chem 32: 2375-81 (1989)


BindingDB Entry DOI: 10.7270/Q2FN16RX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50223712
PNG
(CHEMBL274043)
Show SMILES CCc1cc2c(Nc3ccc(F)cc3N=C2N2CC(C)N(C)C(C)C2)s1 |c:15|
Show InChI InChI=1S/C20H25FN4S/c1-5-15-9-16-19(25-10-12(2)24(4)13(3)11-25)22-18-8-14(21)6-7-17(18)23-20(16)26-15/h6-9,12-13,23H,5,10-11H2,1-4H3
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TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from Muscarinic acetylcholine receptor of rat brain membrane


J Med Chem 25: 1133-40 (1982)


BindingDB Entry DOI: 10.7270/Q2K64M9Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50017530
PNG
(7-Bromo-2-methyl-10-(4-methyl-piperazin-1-yl)-2,4-...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Br)ccc2Nc2nn(C)nc12 |t:8|
Show InChI InChI=1S/C15H18BrN7/c1-21-5-7-23(8-6-21)15-13-14(20-22(2)19-13)17-11-4-3-10(16)9-12(11)18-15/h3-4,9H,5-8H2,1-2H3,(H,17,20)
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n/an/a 300n/an/an/an/an/an/a



Lilly Research Centre Limited

Curated by ChEMBL


Assay Description
Inhibitory activity Dopamine receptor D2 in calf caudate tissue, using [3H]spiperone as the radioligand


J Med Chem 32: 2375-81 (1989)


BindingDB Entry DOI: 10.7270/Q2FN16RX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017615
PNG
(7-Chloro-2-ethyl-10-(4-methyl-piperazin-1-yl)-2,4-...)
Show SMILES CCn1cc2c(Nc3ccc(Cl)cc3N=C2N2CCN(C)CC2)n1 |c:15|
Show InChI InChI=1S/C17H21ClN6/c1-3-24-11-13-16(21-24)19-14-5-4-12(18)10-15(14)20-17(13)23-8-6-22(2)7-9-23/h4-5,10-11H,3,6-9H2,1-2H3,(H,19,21)
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n/an/a 340n/an/an/an/an/an/a



Lilly Research Centre Limited

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to dopamine receptor D2 from rat brain striatum


J Med Chem 32: 2573-82 (1989)


BindingDB Entry DOI: 10.7270/Q22F7P2J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017631
PNG
(2-Benzyl-7-fluoro-10-(4-methyl-piperazin-1-yl)-2,4...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(F)ccc2Nc2nn(Cc3ccccc3)cc12 |t:8|
Show InChI InChI=1S/C22H23FN6/c1-27-9-11-28(12-10-27)22-18-15-29(14-16-5-3-2-4-6-16)26-21(18)24-19-8-7-17(23)13-20(19)25-22/h2-8,13,15H,9-12,14H2,1H3,(H,24,26)
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n/an/a 400n/an/an/an/an/an/a



Lilly Research Centre Limited

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to dopamine receptor D2 from rat brain striatum


J Med Chem 32: 2573-82 (1989)


BindingDB Entry DOI: 10.7270/Q22F7P2J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50223661
PNG
(CHEMBL276754)
Show SMILES CN1CCN(CC1)C1=Nc2cc(F)ccc2Nc2sccc12 |t:8|
Show InChI InChI=1S/C16H17FN4S/c1-20-5-7-21(8-6-20)15-12-4-9-22-16(12)19-13-3-2-11(17)10-14(13)18-15/h2-4,9-10,19H,5-8H2,1H3
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n/an/a 574n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from Muscarinic acetylcholine receptor of rat brain membrane


J Med Chem 25: 1133-40 (1982)


BindingDB Entry DOI: 10.7270/Q2K64M9Z
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50223660
PNG
(CHEMBL14605)
Show SMILES CN1CCN(CC1)C1=Nc2cc(F)ccc2Nc2scc(C)c12 |t:8|
Show InChI InChI=1S/C17H19FN4S/c1-11-10-23-17-15(11)16(22-7-5-21(2)6-8-22)19-14-9-12(18)3-4-13(14)20-17/h3-4,9-10,20H,5-8H2,1-2H3
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n/an/a 624n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from Dopamine receptor of rat striatum membrane


J Med Chem 25: 1133-40 (1982)


BindingDB Entry DOI: 10.7270/Q2K64M9Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017630
PNG
(7-Chloro-2-methyl-10-(4-methyl-piperazin-1-yl)-2,4...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2nn(C)cc12 |t:8|
Show InChI InChI=1S/C16H19ClN6/c1-21-5-7-23(8-6-21)16-12-10-22(2)20-15(12)18-13-4-3-11(17)9-14(13)19-16/h3-4,9-10H,5-8H2,1-2H3,(H,18,20)
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n/an/a 680n/an/an/an/an/an/a



Lilly Research Centre Limited

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to dopamine receptor D2 from rat brain striatum


J Med Chem 32: 2573-82 (1989)


BindingDB Entry DOI: 10.7270/Q22F7P2J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017628
PNG
(7-Bromo-2-methyl-10-(4-methyl-piperazin-1-yl)-2,4-...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Br)ccc2Nc2nn(C)cc12 |t:8|
Show InChI InChI=1S/C16H19BrN6/c1-21-5-7-23(8-6-21)16-12-10-22(2)20-15(12)18-13-4-3-11(17)9-14(13)19-16/h3-4,9-10H,5-8H2,1-2H3,(H,18,20)
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n/an/a 680n/an/an/an/an/an/a



Lilly Research Centre Limited

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to Dopamine receptor D2 from striatum of the rat brain


J Med Chem 32: 2573-82 (1989)


BindingDB Entry DOI: 10.7270/Q22F7P2J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017626
PNG
(7-Fluoro-2-hexyl-10-(4-methyl-piperazin-1-yl)-2,4-...)
Show SMILES CCCCCCn1cc2c(Nc3ccc(F)cc3N=C2N2CCN(C)CC2)n1 |c:19|
Show InChI InChI=1S/C21H29FN6/c1-3-4-5-6-9-28-15-17-20(25-28)23-18-8-7-16(22)14-19(18)24-21(17)27-12-10-26(2)11-13-27/h7-8,14-15H,3-6,9-13H2,1-2H3,(H,23,25)
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n/an/a 700n/an/an/an/an/an/a



Lilly Research Centre Limited

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to dopamine receptor D2 from rat brain striatum


J Med Chem 32: 2573-82 (1989)


BindingDB Entry DOI: 10.7270/Q22F7P2J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017617
PNG
(6,7-Difluoro-2-methyl-10-(4-methyl-piperazin-1-yl)...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(F)c(F)cc2Nc2nn(C)cc12 |t:8|
Show InChI InChI=1S/C16H18F2N6/c1-22-3-5-24(6-4-22)16-10-9-23(2)21-15(10)19-13-7-11(17)12(18)8-14(13)20-16/h7-9H,3-6H2,1-2H3,(H,19,21)
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n/an/a 760n/an/an/an/an/an/a



Lilly Research Centre Limited

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to dopamine receptor D2 from rat brain striatum


J Med Chem 32: 2573-82 (1989)


BindingDB Entry DOI: 10.7270/Q22F7P2J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50017523
PNG
(7-Fluoro-2-methyl-10-(4-methyl-piperazin-1-yl)-2,4...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(F)ccc2Nc2nn(C)nc12 |t:8|
Show InChI InChI=1S/C15H18FN7/c1-21-5-7-23(8-6-21)15-13-14(20-22(2)19-13)17-11-4-3-10(16)9-12(11)18-15/h3-4,9H,5-8H2,1-2H3,(H,17,20)
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n/an/a 840n/an/an/an/an/an/a



Lilly Research Centre Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against Dopamine receptor D2 in calf caudate tissue, using [3H]spiperone as the radioligand


J Med Chem 32: 2375-81 (1989)


BindingDB Entry DOI: 10.7270/Q2FN16RX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50017644
PNG
(8-Chloro-2-methyl-10-(4-methyl-piperazin-1-yl)-2,4...)
Show SMILES CN1CCN(CC1)C1=Nc2c(Cl)cccc2Nc2nn(C)cc12 |t:8|
Show InChI InChI=1S/C16H19ClN6/c1-21-6-8-23(9-7-21)16-11-10-22(2)20-15(11)18-13-5-3-4-12(17)14(13)19-16/h3-5,10H,6-9H2,1-2H3,(H,18,20)
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n/an/a 860n/an/an/an/an/an/a



Lilly Research Centre Limited

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to Dopamine receptor D2 from striatum of the rat brain


J Med Chem 32: 2573-82 (1989)


BindingDB Entry DOI: 10.7270/Q22F7P2J
More data for this
Ligand-Target Pair
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