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14 similar compounds to monomer 50095890

Compile data set for download or QSAR
Wt: 343.8
BDBM50040243
Wt: 383.5
BDBM50102314
Wt: 339.4
BDBM50102315
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Wt: 427.5
BDBM50102316
Wt: 383.5
BDBM50102317
Wt: 415.5
BDBM50102318
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Wt: 325.4
BDBM50102319
Wt: 399.5
BDBM50102320
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Wt: 379.5
BDBM50102321
Wt: 397.5
BDBM50102322
Wt: 401.4
BDBM50102323
Wt: 327.4
BDBM50102324
Wt: 411.5
BDBM50102326
Wt: 295.4
BDBM141313
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50040243,50102314,50102315,50102316,50102317,50102318,50102319,50102320,50102321,50102322,50102323,50102324,50102326,141313   
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
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50040243
PNG
(8-Chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f]...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Sc2ccccc12
Show InChI InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-16(14)23-17-7-6-13(19)12-15(17)20-18/h2-7,12H,8-11H2,1H3
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4.10n/an/an/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
In vitro binding affinity against rat 5-hydroxytryptamine 2 receptor.


J Med Chem 36: 2107-14 (1993)


Article DOI: 10.1021/jm00067a009
BindingDB Entry DOI: 10.7270/Q22B8X37
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50040243
PNG
(8-Chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f]...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Sc2ccccc12
Show InChI InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-16(14)23-17-7-6-13(19)12-15(17)20-18/h2-7,12H,8-11H2,1H3
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5.60n/an/an/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
In vitro binding affinity against Muscarinic acetylcholine receptors in rat brain.


J Med Chem 36: 2107-14 (1993)


Article DOI: 10.1021/jm00067a009
BindingDB Entry DOI: 10.7270/Q22B8X37
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50040243
PNG
(8-Chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f]...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Sc2ccccc12
Show InChI InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-16(14)23-17-7-6-13(19)12-15(17)20-18/h2-7,12H,8-11H2,1H3
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30n/an/an/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine D2 receptor in rat striatal tissue.


J Med Chem 36: 2107-14 (1993)


Article DOI: 10.1021/jm00067a009
BindingDB Entry DOI: 10.7270/Q22B8X37
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50040243
PNG
(8-Chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f]...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Sc2ccccc12
Show InChI InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-16(14)23-17-7-6-13(19)12-15(17)20-18/h2-7,12H,8-11H2,1H3
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30n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Binding affinity against dopamine D2 receptor


J Med Chem 37: 519-25 (1994)


Article DOI: 10.1021/jm00030a011
BindingDB Entry DOI: 10.7270/Q2HX1DWK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM141313
PNG
(US8653257, 11-Piperazin-1-yl-dibenzo[b,f][1,4]thia...)
Show SMILES C1CN(CCN1)C1=Nc2ccccc2Sc2ccccc12
Show InChI InChI=1S/C17H17N3S/c1-3-7-15-13(5-1)17(20-11-9-18-10-12-20)19-14-6-2-4-8-16(14)21-15/h1-8,18H,9-12H2
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US Patent
37n/an/an/an/an/an/an/an/a



Astrazeneca AB

US Patent


Assay Description
The ability of test compounds to displace 3H-raclopride at the D2s receptor can be determined on membranes from D2s-transfected CHO cells (Bmax 13 pm...


US Patent US8653257 (2014)


BindingDB Entry DOI: 10.7270/Q2DR2T69
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50040243
PNG
(8-Chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f]...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Sc2ccccc12
Show InChI InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-16(14)23-17-7-6-13(19)12-15(17)20-18/h2-7,12H,8-11H2,1H3
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240n/an/an/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 in rat striatal tissue


J Med Chem 36: 2107-14 (1993)


Article DOI: 10.1021/jm00067a009
BindingDB Entry DOI: 10.7270/Q22B8X37
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50040243
PNG
(8-Chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f]...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Sc2ccccc12
Show InChI InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-16(14)23-17-7-6-13(19)12-15(17)20-18/h2-7,12H,8-11H2,1H3
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240n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1


J Med Chem 37: 519-25 (1994)


Article DOI: 10.1021/jm00030a011
BindingDB Entry DOI: 10.7270/Q2HX1DWK
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50102319
PNG
(11-(4-Methyl-piperazin-1-yl)-dibenzo[b,f][1,4]thia...)
Show SMILES CN1CCN(CC1)C1=Nc2ccc(O)cc2Sc2ccccc12
Show InChI InChI=1S/C18H19N3OS/c1-20-8-10-21(11-9-20)18-14-4-2-3-5-16(14)23-17-12-13(22)6-7-15(17)19-18/h2-7,12,22H,8-11H2,1H3
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n/an/a 49n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of spiropiperidone binding at dopamine receptor D2 of rat.


J Med Chem 44: 372-89 (2001)


Article DOI: 10.1021/jm000242+
BindingDB Entry DOI: 10.7270/Q2639P1N
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50102320
PNG
(11-{4-[2-(2-Hydroxy-ethoxy)-ethyl]-piperazin-1-yl}...)
Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccc(O)cc2Sc2ccccc12
Show InChI InChI=1S/C21H25N3O3S/c25-12-14-27-13-11-23-7-9-24(10-8-23)21-17-3-1-2-4-19(17)28-20-15-16(26)5-6-18(20)22-21/h1-6,15,25-26H,7-14H2
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n/an/a 166n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of spiropiperidone binding at dopamine receptor D2 of rat.


J Med Chem 44: 372-89 (2001)


Article DOI: 10.1021/jm000242+
BindingDB Entry DOI: 10.7270/Q2639P1N
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50102321
PNG
(11-[4-(Tetrahydro-furan-2-ylmethyl)-piperazin-1-yl...)
Show SMILES C(C1CCCO1)N1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12
Show InChI InChI=1/C22H25N3OS/c1-3-9-20-18(7-1)22(23-19-8-2-4-10-21(19)27-20)25-13-11-24(12-14-25)16-17-6-5-15-26-17/h1-4,7-10,17H,5-6,11-16H2
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n/an/a 417n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of spiropiperidone binding at dopamine receptor D2 of rat.


J Med Chem 44: 372-89 (2001)


Article DOI: 10.1021/jm000242+
BindingDB Entry DOI: 10.7270/Q2639P1N
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50102322
PNG
(11-[4-(2,3-Dimethoxy-propyl)-piperazin-1-yl]-diben...)
Show SMILES COCC(CN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12)OC
Show InChI InChI=1/C22H27N3O2S/c1-26-16-17(27-2)15-24-11-13-25(14-12-24)22-18-7-3-5-9-20(18)28-21-10-6-4-8-19(21)23-22/h3-10,17H,11-16H2,1-2H3
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n/an/a 795n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of spiropiperidone binding at dopamine receptor D2 of rat.


J Med Chem 44: 372-89 (2001)


Article DOI: 10.1021/jm000242+
BindingDB Entry DOI: 10.7270/Q2639P1N
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50102323
PNG
(2-{2-[4-(7-Fluoro-dibenzo[b,f][1,4]thiazepin-11-yl...)
Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccc(F)cc2Sc2ccccc12
Show InChI InChI=1S/C21H24FN3O2S/c22-16-5-6-18-20(15-16)28-19-4-2-1-3-17(19)21(23-18)25-9-7-24(8-10-25)11-13-27-14-12-26/h1-6,15,26H,7-14H2
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n/an/a 560n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of spiropiperidone binding at dopamine receptor D2 of rat.


J Med Chem 44: 372-89 (2001)


Article DOI: 10.1021/jm000242+
BindingDB Entry DOI: 10.7270/Q2639P1N
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50102324
PNG
(7-Fluoro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f]...)
Show SMILES CN1CCN(CC1)C1=Nc2ccc(F)cc2Sc2ccccc12
Show InChI InChI=1S/C18H18FN3S/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-16(14)23-17-12-13(19)6-7-15(17)20-18/h2-7,12H,8-11H2,1H3
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n/an/a 963n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of spiropiperidone binding at dopamine receptor D2 of rat.


J Med Chem 44: 372-89 (2001)


Article DOI: 10.1021/jm000242+
BindingDB Entry DOI: 10.7270/Q2639P1N
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50102326
PNG
(11-[4-(3,4-Dimethoxy-butyl)-piperazin-1-yl]-dibenz...)
Show SMILES COCC(CCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12)OC
Show InChI InChI=1/C23H29N3O2S/c1-27-17-18(28-2)11-12-25-13-15-26(16-14-25)23-19-7-3-5-9-21(19)29-22-10-6-4-8-20(22)24-23/h3-10,18H,11-17H2,1-2H3
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n/an/a 293n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of spiropiperidone binding at dopamine receptor D2 of rat.


J Med Chem 44: 372-89 (2001)


Article DOI: 10.1021/jm000242+
BindingDB Entry DOI: 10.7270/Q2639P1N
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50102314
PNG
(3-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-piperazin-1-...)
Show SMILES COC(CO)CN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12
Show InChI InChI=1/C21H25N3O2S/c1-26-16(15-25)14-23-10-12-24(13-11-23)21-17-6-2-4-8-19(17)27-20-9-5-3-7-18(20)22-21/h2-9,16,25H,10-15H2,1H3
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n/an/a 755n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of spiropiperidone binding at dopamine receptor D2 of rat.


J Med Chem 44: 372-89 (2001)


Article DOI: 10.1021/jm000242+
BindingDB Entry DOI: 10.7270/Q2639P1N
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50102318
PNG
(2-{2-[4-(5,5-Dioxo-5H-5lambda*6*-dibenzo[b,f][1,4]...)
Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C21H25N3O4S/c25-14-16-28-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)29(26,27)20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
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n/an/a 132n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of spiropiperidone binding at dopamine receptor D2 of rat.


J Med Chem 44: 372-89 (2001)


Article DOI: 10.1021/jm000242+
BindingDB Entry DOI: 10.7270/Q2639P1N
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50102317
PNG
(2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-piperazin-1-...)
Show SMILES COCC(CO)N1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12
Show InChI InChI=1/C21H25N3O2S/c1-26-15-16(14-25)23-10-12-24(13-11-23)21-17-6-2-4-8-19(17)27-20-9-5-3-7-18(20)22-21/h2-9,16,25H,10-15H2,1H3
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n/an/a 1.64E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of spiropiperidone binding at dopamine receptor D2 of rat.


J Med Chem 44: 372-89 (2001)


Article DOI: 10.1021/jm000242+
BindingDB Entry DOI: 10.7270/Q2639P1N
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50102315
PNG
(2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-piperazin-1-...)
Show SMILES OCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H21N3OS/c23-14-13-21-9-11-22(12-10-21)19-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)20-19/h1-8,23H,9-14H2
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n/an/a 1.33E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of spiropiperidone binding at dopamine receptor D2 of rat.


J Med Chem 44: 372-89 (2001)


Article DOI: 10.1021/jm000242+
BindingDB Entry DOI: 10.7270/Q2639P1N
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50102316
PNG
(2-{2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-pipera...)
Show SMILES OCCOCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12
Show InChI InChI=1S/C23H29N3O3S/c27-14-16-29-18-17-28-15-13-25-9-11-26(12-10-25)23-19-5-1-3-7-21(19)30-22-8-4-2-6-20(22)24-23/h1-8,27H,9-18H2
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n/an/a 1.39E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of spiropiperidone binding at dopamine receptor D2 of rat.


J Med Chem 44: 372-89 (2001)


Article DOI: 10.1021/jm000242+
BindingDB Entry DOI: 10.7270/Q2639P1N
More data for this
Ligand-Target Pair