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PubMed code 1348090

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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001996
PNG
(5-Fluoro-1-(4-fluoro-phenyl)-3-(1-methyl-1,2,3,6-t...)
Show SMILES CN1CCC(=CC1)c1cn(-c2ccc(F)cc2)c2ccc(F)cc12
Show InChI InChI=1S/C20H18F2N2/c1-23-10-8-14(9-11-23)19-13-24(17-5-2-15(21)3-6-17)20-7-4-16(22)12-18(19)20/h2-8,12-13H,9-11H2,1H3
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n/an/a 0.740n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-spiperone binding to dopamine D2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50002011
PNG
(1-(4-Fluoro-phenyl)-3-(1-methyl-1,2,3,6-tetrahydro...)
Show SMILES CN1CCC(=CC1)c1cn(-c2ccc(F)cc2)c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C20H18FN3O2/c1-22-10-8-14(9-11-22)19-13-23(16-4-2-15(21)3-5-16)20-7-6-17(24(25)26)12-18(19)20/h2-8,12-13H,9-11H2,1H3
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n/an/a 0.760n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-spiperone binding to dopamine D2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001990
PNG
(5-Chloro-1-(4-fluoro-phenyl)-3-(4-methyl-piperazin...)
Show SMILES CN1CCN(CC1)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
Show InChI InChI=1S/C19H19ClFN3/c1-22-8-10-23(11-9-22)19-13-24(16-5-3-15(21)4-6-16)18-7-2-14(20)12-17(18)19/h2-7,12-13H,8-11H2,1H3
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n/an/a 1n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-spiperone binding to dopamine D2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50002015
PNG
(5-Chloro-1-(4-fluoro-phenyl)-3-(1-methyl-1,2,3,6-t...)
Show SMILES CN1CCC(=CC1)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
Show InChI InChI=1S/C20H18ClFN2/c1-23-10-8-14(9-11-23)19-13-24(17-5-3-16(22)4-6-17)20-7-2-15(21)12-18(19)20/h2-8,12-13H,9-11H2,1H3
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n/an/a 1.10n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-spiperone binding to dopamine D2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001989
PNG
(1-(4-Fluoro-phenyl)-3-(1-methyl-1,2,3,6-tetrahydro...)
Show SMILES CN1CCC(=CC1)c1cn(-c2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C20H19FN2/c1-22-12-10-15(11-13-22)19-14-23(17-8-6-16(21)7-9-17)20-5-3-2-4-18(19)20/h2-10,14H,11-13H2,1H3
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n/an/a 1.60n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-spiperone binding to dopamine D2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001997
PNG
(1-(2-{4-[1-(4-Fluoro-phenyl)-5-trifluoromethyl-1H-...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(ccc12)C(F)(F)F
Show InChI InChI=1S/C25H26F4N4O/c26-19-2-4-20(5-3-19)33-16-22(21-15-18(25(27,28)29)1-6-23(21)33)17-7-10-31(11-8-17)13-14-32-12-9-30-24(32)34/h1-6,15-17H,7-14H2,(H,30,34)
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n/an/a 1.90n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-spiperone binding to dopamine D2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001993
PNG
(1-(4-Fluoro-phenyl)-3-{1-[2-(2-oxo-imidazolidin-1-...)
Show SMILES Fc1ccc(cc1)-n1cc(C2=CCN(CCN3CCNC3=O)CC2)c2cc(ccc12)C#N
Show InChI InChI=1S/C25H24FN5O/c26-20-2-4-21(5-3-20)31-17-23(22-15-18(16-27)1-6-24(22)31)19-7-10-29(11-8-19)13-14-30-12-9-28-25(30)32/h1-7,15,17H,8-14H2,(H,28,32)
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n/an/a 2.10n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-spiperone binding to dopamine D2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50002005
PNG
(1-(6-{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-y...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCCCCCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C28H34ClFN4O/c29-22-5-10-27-25(19-22)26(20-34(27)24-8-6-23(30)7-9-24)21-11-16-32(17-12-21)14-3-1-2-4-15-33-18-13-31-28(33)35/h5-10,19-21H,1-4,11-18H2,(H,31,35)
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n/an/a 2.20n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-spiperone binding to dopamine D2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50002000
PNG
(1-(4-Fluoro-phenyl)-3-{1-[2-(2-oxo-imidazolidin-1-...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(ccc12)C#N
Show InChI InChI=1S/C25H26FN5O/c26-20-2-4-21(5-3-20)31-17-23(22-15-18(16-27)1-6-24(22)31)19-7-10-29(11-8-19)13-14-30-12-9-28-25(30)32/h1-6,15,17,19H,7-14H2,(H,28,32)
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n/an/a 2.20n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-spiperone binding to dopamine D2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50002002
PNG
(1-(2-{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-y...)
Show SMILES Fc1ccc(cc1)-n1cc(C2=CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H24ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-7,15-16H,8-14H2,(H,27,31)
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n/an/a 2.30n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-spiperone binding to dopamine D2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001994
PNG
(2-{4-[1-(4-Fluoro-phenyl)-5-trifluoromethyl-1H-ind...)
Show SMILES OCCN1CCN(CC1)c1cn(-c2ccc(F)cc2)c2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C21H21F4N3O/c22-16-2-4-17(5-3-16)28-14-20(27-9-7-26(8-10-27)11-12-29)18-13-15(21(23,24)25)1-6-19(18)28/h1-6,13-14,29H,7-12H2
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n/an/a 2.60n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-spiperone binding to dopamine D2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50002004
PNG
(1-(3-{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-y...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C25H28ClFN4O/c26-19-2-7-24-22(16-19)23(17-31(24)21-5-3-20(27)4-6-21)18-8-13-29(14-9-18)11-1-12-30-15-10-28-25(30)32/h2-7,16-18H,1,8-15H2,(H,28,32)
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n/an/a 3.40n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-spiperone binding to dopamine D2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50002008
PNG
(1-(2-{4-[1-(4-Fluoro-phenyl)-5-methyl-1H-indol-3-y...)
Show SMILES Cc1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H29FN4O/c1-18-2-7-24-22(16-18)23(17-30(24)21-5-3-20(26)4-6-21)19-8-11-28(12-9-19)14-15-29-13-10-27-25(29)31/h2-7,16-17,19H,8-15H2,1H3,(H,27,31)
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n/an/a 3.70n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-spiperone binding to dopamine D2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50002013
PNG
(1-(2-{4-[5-Bromo-1-(4-fluoro-phenyl)-1H-indol-3-yl...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Br)ccc12
Show InChI InChI=1S/C24H26BrFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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n/an/a 3.80n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-spiperone binding to dopamine D2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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n/an/a 4n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-spiperone binding to dopamine receptor D2


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001786
PNG
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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n/an/a 4.10n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-spiperone binding to dopamine D2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50002010
PNG
(1-(5-{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-y...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCCCCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C27H32ClFN4O/c28-21-4-9-26-24(18-21)25(19-33(26)23-7-5-22(29)6-8-23)20-10-15-31(16-11-20)13-2-1-3-14-32-17-12-30-27(32)34/h4-9,18-20H,1-3,10-17H2,(H,30,34)
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n/an/a 4.20n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-spiperone binding to dopamine D2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001995
PNG
(2-{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-...)
Show SMILES OCCN1CCC(CC1)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
Show InChI InChI=1S/C21H22ClFN2O/c22-16-1-6-21-19(13-16)20(15-7-9-24(10-8-15)11-12-26)14-25(21)18-4-2-17(23)3-5-18/h1-6,13-15,26H,7-12H2
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n/an/a 4.5n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-spiperone binding to dopamine D2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50002001
PNG
(1-(2-{4-[5-Fluoro-1-(4-fluoro-phenyl)-1H-indol-3-y...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(F)ccc12
Show InChI InChI=1S/C24H26F2N4O/c25-18-1-4-20(5-2-18)30-16-22(21-15-19(26)3-6-23(21)30)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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n/an/a 4.70n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-spiperone binding to dopamine D2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50002003
PNG
(1-(2-{4-[1-(4-Fluoro-phenyl)-5-methanesulfonyl-1H-...)
Show SMILES CS(=O)(=O)c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H29FN4O3S/c1-34(32,33)21-6-7-24-22(16-21)23(17-30(24)20-4-2-19(26)3-5-20)18-8-11-28(12-9-18)14-15-29-13-10-27-25(29)31/h2-7,16-18H,8-15H2,1H3,(H,27,31)
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n/an/a 5.80n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-spiperone binding to dopamine D2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001991
PNG
(1-(2-{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-y...)
Show SMILES CN1CCN(CCN2CCC(CC2)c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)C1=O
Show InChI InChI=1S/C25H28ClFN4O/c1-28-12-14-30(25(28)32)15-13-29-10-8-18(9-11-29)23-17-31(21-5-3-20(27)4-6-21)24-7-2-19(26)16-22(23)24/h2-7,16-18H,8-15H2,1H3
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n/an/a 6.5n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-spiperone binding to dopamine D2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(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 7.5n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-spiperone binding to dopamine receptor D2


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50019966
PNG
(2-{4-[(1R,3S)-3-(4-Fluoro-phenyl)-6-trifluoromethy...)
Show SMILES OCCN1CCN(CC1)[C@@H]1C[C@H](c2ccc(cc12)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1S/C22H24F4N2O/c23-17-4-1-15(2-5-17)19-14-21(28-9-7-27(8-10-28)11-12-29)20-13-16(22(24,25)26)3-6-18(19)20/h1-6,13,19,21,29H,7-12,14H2/t19-,21+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-spiperone binding to dopamine D2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50002007
PNG
(1-(2-{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-y...)
Show SMILES CC(C)N1CCN(CCN2CCC(CC2)c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)C1=O
Show InChI InChI=1S/C27H32ClFN4O/c1-19(2)32-16-15-31(27(32)34)14-13-30-11-9-20(10-12-30)25-18-33(23-6-4-22(29)5-7-23)26-8-3-21(28)17-24(25)26/h3-8,17-20H,9-16H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-spiperone binding to dopamine D2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001778
PNG
((Lu 23-086)1-(2-{4-[1-(4-Fluoro-phenyl)-1H-indol-3...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2ccccc12
Show InChI InChI=1S/C24H27FN4O/c25-19-5-7-20(8-6-19)29-17-22(21-3-1-2-4-23(21)29)18-9-12-27(13-10-18)15-16-28-14-11-26-24(28)30/h1-8,17-18H,9-16H2,(H,26,30)
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n/an/a 18n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-spiperone binding to dopamine D2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001998
PNG
(1-(2-{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-y...)
Show SMILES Fc1ccc(cc1)-n1cc(N2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C23H25ClFN5O/c24-17-1-6-21-20(15-17)22(16-30(21)19-4-2-18(25)3-5-19)28-12-9-27(10-13-28)11-14-29-8-7-26-23(29)31/h1-6,15-16H,7-14H2,(H,26,31)
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n/an/a 21n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-spiperone binding to dopamine D2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50002009
PNG
(5-Chloro-1-(4-fluoro-phenyl)-3-piperidin-4-yl-1H-i...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCNCC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C19H18ClFN2/c20-14-1-6-19-17(11-14)18(13-7-9-22-10-8-13)12-23(19)16-4-2-15(21)3-5-16/h1-6,11-13,22H,7-10H2
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n/an/a 23n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-spiperone binding to dopamine D2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50002014
PNG
(1-(2-{4-[1-(4-Fluoro-phenyl)-5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H29FN4O2/c1-32-21-6-7-24-22(16-21)23(17-30(24)20-4-2-19(26)3-5-20)18-8-11-28(12-9-18)14-15-29-13-10-27-25(29)31/h2-7,16-18H,8-15H2,1H3,(H,27,31)
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n/an/a 24n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-spiperone binding to dopamine D2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001992
PNG
(1-(4-{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-y...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCCCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C26H30ClFN4O/c27-20-3-8-25-23(17-20)24(18-32(25)22-6-4-21(28)5-7-22)19-9-14-30(15-10-19)12-1-2-13-31-16-11-29-26(31)33/h3-8,17-19H,1-2,9-16H2,(H,29,33)
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n/an/a 78n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-spiperone binding to dopamine D2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50002006
PNG
(1-(2-{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-y...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCN(C3=O)c3ccccc3)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C30H30ClFN4O/c31-23-6-11-29-27(20-23)28(21-36(29)26-9-7-24(32)8-10-26)22-12-14-33(15-13-22)16-17-34-18-19-35(30(34)37)25-4-2-1-3-5-25/h1-11,20-22H,12-19H2
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n/an/a 92n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-spiperone binding to dopamine D2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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
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 410n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-spiperone binding to dopamine receptor D2


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001999
PNG
(1-(2-{4,4-Bis-[5-chloro-1-(4-fluoro-phenyl)-1H-ind...)
Show SMILES Fc1ccc(cc1)-n1cc(c2cc(Cl)ccc12)C1(CCN(CCN2CCNC2=O)CC1)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
Show InChI InChI=1S/C38H33Cl2F2N5O/c39-25-1-11-35-31(21-25)33(23-46(35)29-7-3-27(41)4-8-29)38(13-16-44(17-14-38)19-20-45-18-15-43-37(45)48)34-24-47(30-9-5-28(42)6-10-30)36-12-2-26(40)22-32(34)36/h1-12,21-24H,13-20H2,(H,43,48)
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n/an/a 760n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-spiperone binding to dopamine receptor D2


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50002016
PNG
(1-{2-[4-(5-Chloro-1H-indol-3-yl)-piperidin-1-yl]-e...)
Show SMILES Clc1ccc2[nH]cc(C3CCN(CCN4CCNC4=O)CC3)c2c1
Show InChI InChI=1S/C18H23ClN4O/c19-14-1-2-17-15(11-14)16(12-21-17)13-3-6-22(7-4-13)9-10-23-8-5-20-18(23)24/h1-2,11-13,21H,3-10H2,(H,20,24)
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n/an/a 810n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Tested for the inhibition of [3H]-spiperone binding to dopamine D2 receptor


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%