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2 similar compounds to monomer 50001811

Compile data set for download or QSAR
Wt: 418.5
BDBM50001805
Wt: 432.5
BDBM50001807

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50001805,50001807   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
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


J Med Chem 35: 4823-31 (1993)


Article DOI: 10.1021/jm00104a007
BindingDB Entry DOI: 10.7270/Q2BK1B8P
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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PubMed
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


J Med Chem 35: 4823-31 (1993)


Article DOI: 10.1021/jm00104a007
BindingDB Entry DOI: 10.7270/Q2BK1B8P
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


J Med Chem 35: 4823-31 (1993)


Article DOI: 10.1021/jm00104a007
BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-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 5.80n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor in rat cortical membranes


J Med Chem 35: 4823-31 (1993)


Article DOI: 10.1021/jm00104a007
BindingDB Entry DOI: 10.7270/Q2BK1B8P
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
Binding affinity at dopamine D2 receptor by [3H]-Spiperone displacement.


J Med Chem 37: 950-62 (1994)


Article DOI: 10.1021/jm00033a013
BindingDB Entry DOI: 10.7270/Q2GF0SKK
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-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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Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor in rat cortical membranes


J Med Chem 35: 4823-31 (1993)


Article DOI: 10.1021/jm00104a007
BindingDB Entry DOI: 10.7270/Q2BK1B8P
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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Article
PubMed
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


J Med Chem 35: 4823-31 (1993)


Article DOI: 10.1021/jm00104a007
BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair