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PubMed code 1336054

Compile data set for download or QSAR
Found 42 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
Alpha-1A adrenergic 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 3.40n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


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
Displacement of [3H]-spiperone from Dopamine receptor D2 rat striatal membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001802
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-indol-1-yl]-piperidin...)
Show SMILES Fc1ccc(cc1)-c1cn(C2CCN(CCN3CCNC3=O)CC2)c2ccccc12
Show InChI InChI=1S/C24H27FN4O/c25-19-7-5-18(6-8-19)22-17-29(23-4-2-1-3-21(22)23)20-9-12-27(13-10-20)15-16-28-14-11-26-24(28)30/h1-8,17,20H,9-16H2,(H,26,30)
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n/an/a 6.30n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001806
PNG
(1-(2-{4-[6-Chloro-3-(4-fluoro-phenyl)-indol-1-yl]-...)
Show SMILES Fc1ccc(cc1)-c1cn(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-3-6-21-22(17-1-4-19(26)5-2-17)16-30(23(21)15-18)20-7-10-28(11-8-20)13-14-29-12-9-27-24(29)31/h1-6,15-16,20H,7-14H2,(H,27,31)
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n/an/a 11n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


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


(Rattus norvegicus (rat))
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES Cc1nc2sccn2c(=O)c1CCN1CCC(CC1)=C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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n/an/a 12n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Compound was tested for the displacement of [3H]-spiperone from dopamine receptor D2


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001812
PNG
(1-(2-{4-[5-Fluoro-3-(4-fluoro-phenyl)-indol-1-yl]-...)
Show SMILES Fc1ccc(cc1)-c1cn(C2CCN(CCN3CCNC3=O)CC2)c2ccc(F)cc12
Show InChI InChI=1S/C24H26F2N4O/c25-18-3-1-17(2-4-18)22-16-30(23-6-5-19(26)15-21(22)23)20-7-10-28(11-8-20)13-14-29-12-9-27-24(29)31/h1-6,15-16,20H,7-14H2,(H,27,31)
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n/an/a 19n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001814
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-7-methyl-indol-1-yl]-...)
Show SMILES Cc1cccc2c(cn(C3CCN(CCN4CCNC4=O)CC3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C25H29FN4O/c1-18-3-2-4-22-23(19-5-7-20(26)8-6-19)17-30(24(18)22)21-9-12-28(13-10-21)15-16-29-14-11-27-25(29)31/h2-8,17,21H,9-16H2,1H3,(H,27,31)
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n/an/a 23n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001811
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-5-methyl-indol-1-yl]-...)
Show SMILES Cc1ccc2n(cc(-c3ccc(F)cc3)c2c1)C1=CCN(CCN2CCNC2=O)CC1
Show InChI InChI=1S/C25H27FN4O/c1-18-2-7-24-22(16-18)23(19-3-5-20(26)6-4-19)17-30(24)21-8-11-28(12-9-21)14-15-29-13-10-27-25(29)31/h2-8,16-17H,9-15H2,1H3,(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
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001805
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-7-methyl-indol-1-yl]-...)
Show SMILES Cc1cccc2c(cn(C3=CCN(CCN4CCNC4=O)CC3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C25H27FN4O/c1-18-3-2-4-22-23(19-5-7-20(26)8-6-19)17-30(24(18)22)21-9-12-28(13-10-21)15-16-29-14-11-27-25(29)31/h2-9,17H,10-16H2,1H3,(H,27,31)
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n/an/a 27n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001804
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-4-methyl-indol-1-yl]-...)
Show SMILES Cc1cccc2n(cc(-c3ccc(F)cc3)c12)C1CCN(CCN2CCNC2=O)CC1
Show InChI InChI=1S/C25H29FN4O/c1-18-3-2-4-23-24(18)22(19-5-7-20(26)8-6-19)17-30(23)21-9-12-28(13-10-21)15-16-29-14-11-27-25(29)31/h2-8,17,21H,9-16H2,1H3,(H,27,31)
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n/an/a 34n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


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


(Rattus norvegicus (rat))
BDBM50001806
PNG
(1-(2-{4-[6-Chloro-3-(4-fluoro-phenyl)-indol-1-yl]-...)
Show SMILES Fc1ccc(cc1)-c1cn(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-3-6-21-22(17-1-4-19(26)5-2-17)16-30(23(21)15-18)20-7-10-28(11-8-20)13-14-29-12-9-27-24(29)31/h1-6,15-16,20H,7-14H2,(H,27,31)
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n/an/a 37n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from Dopamine receptor D2 rat striatal membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES Cc1nc2sccn2c(=O)c1CCN1CCC(CC1)=C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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n/an/a 47n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Compound was tested for i the displacement of [3H]-prazosin from alpha-1 adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001813
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-5-methyl-indol-1-yl]-...)
Show SMILES CNC(=O)N(C)CCN1CCC(CC1)n1cc(-c2ccc(F)cc2)c2cc(C)ccc12
Show InChI InChI=1S/C25H31FN4O/c1-18-4-9-24-22(16-18)23(19-5-7-20(26)8-6-19)17-30(24)21-10-12-29(13-11-21)15-14-28(3)25(31)27-2/h4-9,16-17,21H,10-15H2,1-3H3,(H,27,31)
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n/an/a 54n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001816
PNG
(1-(2-{4-[5-Chloro-3-(4-fluoro-phenyl)-indol-1-yl]-...)
Show SMILES Fc1ccc(cc1)-c1cn(C2CCN(CCN3CCNC3=O)CC2)c2ccc(Cl)cc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-3-6-23-21(15-18)22(17-1-4-19(26)5-2-17)16-30(23)20-7-10-28(11-8-20)13-14-29-12-9-27-24(29)31/h1-6,15-16,20H,7-14H2,(H,27,31)
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n/an/a 67n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001782
PNG
((Lu 26-042)1-(2-{4-[6-Chloro-1-(4-fluoro-phenyl)-1...)
Show SMILES CC(C)N1CCN(CCN2CCC(CC2)c2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)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)26-17-21(28)3-8-24(25)26/h3-8,17-20H,9-16H2,1-2H3
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n/an/a 70n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001803
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-5-methyl-indol-1-yl]-...)
Show SMILES Cc1ccc2n(cc(-c3ccc(F)cc3)c2c1)C1CCN(CCN2CCNC2=O)CC1
Show InChI InChI=1S/C25H29FN4O/c1-18-2-7-24-22(16-18)23(19-3-5-20(26)6-4-19)17-30(24)21-8-11-28(12-9-21)14-15-29-13-10-27-25(29)31/h2-7,16-17,21H,8-15H2,1H3,(H,27,31)
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n/an/a 71n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001817
PNG
(3-(2-{4-[3-(4-Fluoro-phenyl)-5-methyl-indol-1-yl]-...)
Show SMILES CN(C)C(=O)NCCN1CCC(CC1)n1cc(-c2ccc(F)cc2)c2cc(C)ccc12
Show InChI InChI=1S/C25H31FN4O/c1-18-4-9-24-22(16-18)23(19-5-7-20(26)8-6-19)17-30(24)21-10-13-29(14-11-21)15-12-27-25(31)28(2)3/h4-9,16-17,21H,10-15H2,1-3H3,(H,27,31)
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n/an/a 89n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


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


(Rattus norvegicus (rat))
BDBM50001802
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-indol-1-yl]-piperidin...)
Show SMILES Fc1ccc(cc1)-c1cn(C2CCN(CCN3CCNC3=O)CC2)c2ccccc12
Show InChI InChI=1S/C24H27FN4O/c25-19-7-5-18(6-8-19)22-17-29(23-4-2-1-3-21(22)23)20-9-12-27(13-10-20)15-16-28-14-11-26-24(28)30/h1-8,17,20H,9-16H2,(H,26,30)
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n/an/a 120n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from Dopamine receptor D2 rat striatal membranes


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


(Rattus norvegicus (rat))
BDBM50001782
PNG
((Lu 26-042)1-(2-{4-[6-Chloro-1-(4-fluoro-phenyl)-1...)
Show SMILES CC(C)N1CCN(CCN2CCC(CC2)c2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)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)26-17-21(28)3-8-24(25)26/h3-8,17-20H,9-16H2,1-2H3
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n/an/a 130n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from Dopamine receptor D2 rat striatal membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001815
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-5-trifluoromethyl-ind...)
Show SMILES Fc1ccc(cc1)-c1cn(C2CCN(CCN3CCNC3=O)CC2)c2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C25H26F4N4O/c26-19-4-1-17(2-5-19)22-16-33(23-6-3-18(15-21(22)23)25(27,28)29)20-7-10-31(11-8-20)13-14-32-12-9-30-24(32)34/h1-6,15-16,20H,7-14H2,(H,30,34)
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n/an/a 190n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001801
PNG
(3-(4-Fluoro-phenyl)-5-methyl-1-(1-methyl-piperidin...)
Show SMILES CN1CCC(CC1)n1cc(-c2ccc(F)cc2)c2cc(C)ccc12
Show InChI InChI=1S/C21H23FN2/c1-15-3-8-21-19(13-15)20(16-4-6-17(22)7-5-16)14-24(21)18-9-11-23(2)12-10-18/h3-8,13-14,18H,9-12H2,1-2H3
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n/an/a 190n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


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


(Rattus norvegicus (rat))
BDBM50001804
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-4-methyl-indol-1-yl]-...)
Show SMILES Cc1cccc2n(cc(-c3ccc(F)cc3)c12)C1CCN(CCN2CCNC2=O)CC1
Show InChI InChI=1S/C25H29FN4O/c1-18-3-2-4-23-24(18)22(19-5-7-20(26)8-6-19)17-30(23)21-9-12-28(13-10-21)15-16-29-14-11-27-25(29)31/h2-8,17,21H,9-16H2,1H3,(H,27,31)
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n/an/a 200n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from Dopamine receptor D2 rat striatal membranes


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


(Rattus norvegicus (rat))
BDBM50001812
PNG
(1-(2-{4-[5-Fluoro-3-(4-fluoro-phenyl)-indol-1-yl]-...)
Show SMILES Fc1ccc(cc1)-c1cn(C2CCN(CCN3CCNC3=O)CC2)c2ccc(F)cc12
Show InChI InChI=1S/C24H26F2N4O/c25-18-3-1-17(2-4-18)22-16-30(23-6-5-19(26)15-21(22)23)20-7-10-28(11-8-20)13-14-29-12-9-27-24(29)31/h1-6,15-16,20H,7-14H2,(H,27,31)
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n/an/a 250n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from Dopamine receptor D2 rat striatal membranes


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


(Rattus norvegicus (rat))
BDBM50001817
PNG
(3-(2-{4-[3-(4-Fluoro-phenyl)-5-methyl-indol-1-yl]-...)
Show SMILES CN(C)C(=O)NCCN1CCC(CC1)n1cc(-c2ccc(F)cc2)c2cc(C)ccc12
Show InChI InChI=1S/C25H31FN4O/c1-18-4-9-24-22(16-18)23(19-5-7-20(26)8-6-19)17-30(24)21-10-13-29(14-11-21)15-12-27-25(31)28(2)3/h4-9,16-17,21H,10-15H2,1-3H3,(H,27,31)
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n/an/a 260n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from Dopamine receptor D2 rat striatal membranes


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


(Rattus norvegicus (rat))
BDBM50001811
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-5-methyl-indol-1-yl]-...)
Show SMILES Cc1ccc2n(cc(-c3ccc(F)cc3)c2c1)C1=CCN(CCN2CCNC2=O)CC1
Show InChI InChI=1S/C25H27FN4O/c1-18-2-7-24-22(16-18)23(19-3-5-20(26)6-4-19)17-30(24)21-8-11-28(12-9-21)14-15-29-13-10-27-25(29)31/h2-8,16-17H,9-15H2,1H3,(H,27,31)
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n/an/a 280n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from Dopamine receptor D2 rat striatal membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001808
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-5-methyl-indol-1-yl]-...)
Show SMILES CC(C)N1CCN(CCN2CCC(CC2)n2cc(-c3ccc(F)cc3)c3cc(C)ccc23)C1=O
Show InChI InChI=1S/C28H35FN4O/c1-20(2)32-17-16-31(28(32)34)15-14-30-12-10-24(11-13-30)33-19-26(22-5-7-23(29)8-6-22)25-18-21(3)4-9-27(25)33/h4-9,18-20,24H,10-17H2,1-3H3
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n/an/a 280n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


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


(Rattus norvegicus (rat))
BDBM50001814
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-7-methyl-indol-1-yl]-...)
Show SMILES Cc1cccc2c(cn(C3CCN(CCN4CCNC4=O)CC3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C25H29FN4O/c1-18-3-2-4-22-23(19-5-7-20(26)8-6-19)17-30(24(18)22)21-9-12-28(13-10-21)15-16-29-14-11-27-25(29)31/h2-8,17,21H,9-16H2,1H3,(H,27,31)
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n/an/a 370n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from Dopamine receptor D2 rat striatal membranes


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


(Rattus norvegicus (rat))
BDBM50001816
PNG
(1-(2-{4-[5-Chloro-3-(4-fluoro-phenyl)-indol-1-yl]-...)
Show SMILES Fc1ccc(cc1)-c1cn(C2CCN(CCN3CCNC3=O)CC2)c2ccc(Cl)cc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-3-6-23-21(15-18)22(17-1-4-19(26)5-2-17)16-30(23)20-7-10-28(11-8-20)13-14-29-12-9-27-24(29)31/h1-6,15-16,20H,7-14H2,(H,27,31)
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n/an/a 410n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from Dopamine receptor D2 rat striatal membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001810
PNG
(3-(4-Fluoro-phenyl)-5-methyl-1-(4-methyl-piperazin...)
Show SMILES CN1CCN(CC1)n1cc(-c2ccc(F)cc2)c2cc(C)ccc12
Show InChI InChI=1S/C20H22FN3/c1-15-3-8-20-18(13-15)19(16-4-6-17(21)7-5-16)14-24(20)23-11-9-22(2)10-12-23/h3-8,13-14H,9-12H2,1-2H3
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n/an/a 500n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


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


(Rattus norvegicus (rat))
BDBM50001805
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-7-methyl-indol-1-yl]-...)
Show SMILES Cc1cccc2c(cn(C3=CCN(CCN4CCNC4=O)CC3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C25H27FN4O/c1-18-3-2-4-22-23(19-5-7-20(26)8-6-19)17-30(24(18)22)21-9-12-28(13-10-21)15-16-29-14-11-27-25(29)31/h2-9,17H,10-16H2,1H3,(H,27,31)
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n/an/a 530n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from Dopamine receptor D2 rat striatal membranes


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


(Rattus norvegicus (rat))
BDBM50001801
PNG
(3-(4-Fluoro-phenyl)-5-methyl-1-(1-methyl-piperidin...)
Show SMILES CN1CCC(CC1)n1cc(-c2ccc(F)cc2)c2cc(C)ccc12
Show InChI InChI=1S/C21H23FN2/c1-15-3-8-21-19(13-15)20(16-4-6-17(22)7-5-16)14-24(21)18-9-11-23(2)12-10-18/h3-8,13-14,18H,9-12H2,1-2H3
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n/an/a 540n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from Dopamine receptor D2 rat striatal membranes


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


(Rattus norvegicus (rat))
BDBM50001803
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-5-methyl-indol-1-yl]-...)
Show SMILES Cc1ccc2n(cc(-c3ccc(F)cc3)c2c1)C1CCN(CCN2CCNC2=O)CC1
Show InChI InChI=1S/C25H29FN4O/c1-18-2-7-24-22(16-18)23(19-3-5-20(26)6-4-19)17-30(24)21-8-11-28(12-9-21)14-15-29-13-10-27-25(29)31/h2-7,16-17,21H,8-15H2,1H3,(H,27,31)
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n/an/a 920n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from Dopamine receptor D2 rat striatal membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001807
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-2,5-dimethyl-indol-1-...)
Show SMILES Cc1c(-c2ccc(F)cc2)c2cc(C)ccc2n1C1=CCN(CCN2CCNC2=O)CC1
Show InChI InChI=1S/C26H29FN4O/c1-18-3-8-24-23(17-18)25(20-4-6-21(27)7-5-20)19(2)31(24)22-9-12-29(13-10-22)15-16-30-14-11-28-26(30)32/h3-9,17H,10-16H2,1-2H3,(H,28,32)
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n/an/a 1.00E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


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


(Rattus norvegicus (rat))
BDBM50001808
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-5-methyl-indol-1-yl]-...)
Show SMILES CC(C)N1CCN(CCN2CCC(CC2)n2cc(-c3ccc(F)cc3)c3cc(C)ccc23)C1=O
Show InChI InChI=1S/C28H35FN4O/c1-20(2)32-17-16-31(28(32)34)15-14-30-12-10-24(11-13-30)33-19-26(22-5-7-23(29)8-6-22)25-18-21(3)4-9-27(25)33/h4-9,18-20,24H,10-17H2,1-3H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from Dopamine receptor D2 rat striatal membranes


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


(Rattus norvegicus (rat))
BDBM50001813
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-5-methyl-indol-1-yl]-...)
Show SMILES CNC(=O)N(C)CCN1CCC(CC1)n1cc(-c2ccc(F)cc2)c2cc(C)ccc12
Show InChI InChI=1S/C25H31FN4O/c1-18-4-9-24-22(16-18)23(19-5-7-20(26)8-6-19)17-30(24)21-10-12-29(13-11-21)15-14-28(3)25(31)27-2/h4-9,16-17,21H,10-15H2,1-3H3,(H,27,31)
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n/an/a 1.20E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from Dopamine receptor D2 rat striatal membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001800
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-2,5-dimethyl-indol-1-...)
Show SMILES Cc1c(-c2ccc(F)cc2)c2cc(C)ccc2n1C1CCN(CCN2CCNC2=O)CC1
Show InChI InChI=1S/C26H31FN4O/c1-18-3-8-24-23(17-18)25(20-4-6-21(27)7-5-20)19(2)31(24)22-9-12-29(13-10-22)15-16-30-14-11-28-26(30)32/h3-8,17,22H,9-16H2,1-2H3,(H,28,32)
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n/an/a 2.30E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


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


(Rattus norvegicus (rat))
BDBM50001815
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-5-trifluoromethyl-ind...)
Show SMILES Fc1ccc(cc1)-c1cn(C2CCN(CCN3CCNC3=O)CC2)c2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C25H26F4N4O/c26-19-4-1-17(2-5-19)22-16-33(23-6-3-18(15-21(22)23)25(27,28)29)20-7-10-31(11-8-20)13-14-32-12-9-30-24(32)34/h1-6,15-16,20H,7-14H2,(H,30,34)
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n/an/a 2.50E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from Dopamine receptor D2 rat striatal membranes


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


(Rattus norvegicus (rat))
BDBM50001809
PNG
(3-(4-Fluoro-phenyl)-2,5-dimethyl-1-(1-methyl-piper...)
Show SMILES CN1CCC(CC1)n1c(C)c(-c2ccc(F)cc2)c2cc(C)ccc12
Show InChI InChI=1S/C22H25FN2/c1-15-4-9-21-20(14-15)22(17-5-7-18(23)8-6-17)16(2)25(21)19-10-12-24(3)13-11-19/h4-9,14,19H,10-13H2,1-3H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from Dopamine receptor D2 rat striatal membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001809
PNG
(3-(4-Fluoro-phenyl)-2,5-dimethyl-1-(1-methyl-piper...)
Show SMILES CN1CCC(CC1)n1c(C)c(-c2ccc(F)cc2)c2cc(C)ccc12
Show InChI InChI=1S/C22H25FN2/c1-15-4-9-21-20(14-15)22(17-5-7-18(23)8-6-17)16(2)25(21)19-10-12-24(3)13-11-19/h4-9,14,19H,10-13H2,1-3H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


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


(Rattus norvegicus (rat))
BDBM50001810
PNG
(3-(4-Fluoro-phenyl)-5-methyl-1-(4-methyl-piperazin...)
Show SMILES CN1CCN(CC1)n1cc(-c2ccc(F)cc2)c2cc(C)ccc12
Show InChI InChI=1S/C20H22FN3/c1-15-3-8-20-18(13-15)19(16-4-6-17(21)7-5-16)14-24(20)23-11-9-22(2)10-12-23/h3-8,13-14H,9-12H2,1-2H3
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n/an/a 3.90E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from Dopamine receptor D2 rat striatal membranes


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


(Rattus norvegicus (rat))
BDBM50001807
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-2,5-dimethyl-indol-1-...)
Show SMILES Cc1c(-c2ccc(F)cc2)c2cc(C)ccc2n1C1=CCN(CCN2CCNC2=O)CC1
Show InChI InChI=1S/C26H29FN4O/c1-18-3-8-24-23(17-18)25(20-4-6-21(27)7-5-20)19(2)31(24)22-9-12-29(13-10-22)15-16-30-14-11-28-26(30)32/h3-9,17H,10-16H2,1-2H3,(H,28,32)
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n/an/a 6.30E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from Dopamine receptor D2 rat striatal membranes


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


(Rattus norvegicus (rat))
BDBM50001800
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-2,5-dimethyl-indol-1-...)
Show SMILES Cc1c(-c2ccc(F)cc2)c2cc(C)ccc2n1C1CCN(CCN2CCNC2=O)CC1
Show InChI InChI=1S/C26H31FN4O/c1-18-3-8-24-23(17-18)25(20-4-6-21(27)7-5-20)19(2)31(24)22-9-12-29(13-10-22)15-16-30-14-11-28-26(30)32/h3-8,17,22H,9-16H2,1-2H3,(H,28,32)
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n/an/a 6.90E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from Dopamine receptor D2 rat striatal membranes


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