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3 similar compounds to monomer 50183266

Compile data set for download or QSAR
Wt: 1325.8
BDBM50183271
Wt: 423.3
BDBM50183261
Wt: 1247.8
BDBM50183267

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50183271,50183261,50183267   
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50183261
PNG
(CHEMBL3819642)
Show SMILES Cl.OC1(CCN(CCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClN2OS.ClH/c22-17-9-7-16(8-10-17)21(25)11-14-24(15-12-21)13-3-6-20-23-18-4-1-2-5-19(18)26-20;/h1-2,4-5,7-10,25H,3,6,11-15H2;1H
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28n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D3 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50183261
PNG
(CHEMBL3819642)
Show SMILES Cl.OC1(CCN(CCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClN2OS.ClH/c22-17-9-7-16(8-10-17)21(25)11-14-24(15-12-21)13-3-6-20-23-18-4-1-2-5-19(18)26-20;/h1-2,4-5,7-10,25H,3,6,11-15H2;1H
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28n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D3 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50183261
PNG
(CHEMBL3819642)
Show SMILES Cl.OC1(CCN(CCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClN2OS.ClH/c22-17-9-7-16(8-10-17)21(25)11-14-24(15-12-21)13-3-6-20-23-18-4-1-2-5-19(18)26-20;/h1-2,4-5,7-10,25H,3,6,11-15H2;1H
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34n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50183261
PNG
(CHEMBL3819642)
Show SMILES Cl.OC1(CCN(CCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClN2OS.ClH/c22-17-9-7-16(8-10-17)21(25)11-14-24(15-12-21)13-3-6-20-23-18-4-1-2-5-19(18)26-20;/h1-2,4-5,7-10,25H,3,6,11-15H2;1H
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34n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50183261
PNG
(CHEMBL3819642)
Show SMILES Cl.OC1(CCN(CCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClN2OS.ClH/c22-17-9-7-16(8-10-17)21(25)11-14-24(15-12-21)13-3-6-20-23-18-4-1-2-5-19(18)26-20;/h1-2,4-5,7-10,25H,3,6,11-15H2;1H
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162n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D4 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50183261
PNG
(CHEMBL3819642)
Show SMILES Cl.OC1(CCN(CCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClN2OS.ClH/c22-17-9-7-16(8-10-17)21(25)11-14-24(15-12-21)13-3-6-20-23-18-4-1-2-5-19(18)26-20;/h1-2,4-5,7-10,25H,3,6,11-15H2;1H
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163n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D4 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50183261
PNG
(CHEMBL3819642)
Show SMILES Cl.OC1(CCN(CCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClN2OS.ClH/c22-17-9-7-16(8-10-17)21(25)11-14-24(15-12-21)13-3-6-20-23-18-4-1-2-5-19(18)26-20;/h1-2,4-5,7-10,25H,3,6,11-15H2;1H
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166n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human recombinant 5HT2A receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50183261
PNG
(CHEMBL3819642)
Show SMILES Cl.OC1(CCN(CCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClN2OS.ClH/c22-17-9-7-16(8-10-17)21(25)11-14-24(15-12-21)13-3-6-20-23-18-4-1-2-5-19(18)26-20;/h1-2,4-5,7-10,25H,3,6,11-15H2;1H
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168n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human recombinant 5HT2A receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50183261
PNG
(CHEMBL3819642)
Show SMILES Cl.OC1(CCN(CCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClN2OS.ClH/c22-17-9-7-16(8-10-17)21(25)11-14-24(15-12-21)13-3-6-20-23-18-4-1-2-5-19(18)26-20;/h1-2,4-5,7-10,25H,3,6,11-15H2;1H
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189n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50183261
PNG
(CHEMBL3819642)
Show SMILES Cl.OC1(CCN(CCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClN2OS.ClH/c22-17-9-7-16(8-10-17)21(25)11-14-24(15-12-21)13-3-6-20-23-18-4-1-2-5-19(18)26-20;/h1-2,4-5,7-10,25H,3,6,11-15H2;1H
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191n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50183261
PNG
(CHEMBL3819642)
Show SMILES Cl.OC1(CCN(CCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClN2OS.ClH/c22-17-9-7-16(8-10-17)21(25)11-14-24(15-12-21)13-3-6-20-23-18-4-1-2-5-19(18)26-20;/h1-2,4-5,7-10,25H,3,6,11-15H2;1H
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759n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50183261
PNG
(CHEMBL3819642)
Show SMILES Cl.OC1(CCN(CCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClN2OS.ClH/c22-17-9-7-16(8-10-17)21(25)11-14-24(15-12-21)13-3-6-20-23-18-4-1-2-5-19(18)26-20;/h1-2,4-5,7-10,25H,3,6,11-15H2;1H
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763n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
RNase L


(Homo sapiens (Human))
BDBM50183267
PNG
(CHEMBL3817920)
Show SMILES C[C@H]1O[C@H]([C@H](OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(=O)OC[C@H]3O[C@H]([C@H](OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n4c(C)nc5c(N)ncnc45)[C@@H]3O)n3cnc4c(N)ncnc34)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H]1O)n1cc(F)c(=O)[nH]c1=O
Show InChI InChI=1S/C40H49FN17O23P3/c1-12-21(59)26(37(75-12)55-3-14(41)35(64)54-40(55)65)79-82(66,67)73-5-16-23(61)28(39(77-16)57-11-52-19-30(43)46-8-49-33(19)57)81-84(70,71)74-6-17-24(62)27(38(78-17)56-10-51-18-29(42)45-7-48-32(18)56)80-83(68,69)72-4-15-22(60)25(63)36(76-15)58-13(2)53-20-31(44)47-9-50-34(20)58/h3,7-12,15-17,21-28,36-39,59-63H,4-6H2,1-2H3,(H,66,67)(H,68,69)(H,70,71)(H2,42,45,48)(H2,43,46,49)(H2,44,47,50)(H,54,64,65)/t12-,15-,16-,17-,21-,22-,23-,24-,25-,26-,27-,28-,36-,37-,38-,39-/m1/s1
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n/an/an/an/a 0.450n/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Induction of recombinant human RNase L activity expressed in Escherichia coli using F-5'-r(C11U2C7)-3' as substrate by polyacrylamide gel electrophor...


Bioorg Med Chem 24: 3870-4 (2016)


Article DOI: 10.1016/j.bmc.2016.06.033
BindingDB Entry DOI: 10.7270/Q2RF5WZ4
More data for this
Ligand-Target Pair
RNase L


(Homo sapiens (Human))
BDBM50183271
PNG
(CHEMBL3819183)
Show SMILES Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(O)(=O)O[C@@H]2[C@H](O)[C@@H](COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(=O)O[C@@H]4[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]4n4ccc(=O)[nH]c4=O)O[C@H]3n3cnc4c(N)ncnc34)O[C@H]2n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C40H51N17O27P4/c1-13-52-21-32(43)46-10-49-35(21)57(13)36-26(63)22(59)14(78-36)5-75-86(68,69)83-28-24(61)17(81-38(28)55-11-50-19-30(41)44-8-47-33(19)55)7-77-88(72,73)84-29-25(62)16(80-39(29)56-12-51-20-31(42)45-9-48-34(20)56)6-76-87(70,71)82-27-23(60)15(4-74-85(65,66)67)79-37(27)54-3-2-18(58)53-40(54)64/h2-3,8-12,14-17,22-29,36-39,59-63H,4-7H2,1H3,(H,68,69)(H,70,71)(H,72,73)(H2,41,44,47)(H2,42,45,48)(H2,43,46,49)(H,53,58,64)(H2,65,66,67)/t14-,15-,16-,17-,22-,23-,24-,25-,26-,27-,28-,29-,36-,37-,38-,39-/m1/s1
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n/an/an/an/a 2.70n/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Induction of recombinant human RNase L activity expressed in Escherichia coli using F-5'-r(C11U2C7)-3' as substrate by polyacrylamide gel electrophor...


Bioorg Med Chem 24: 3870-4 (2016)


Article DOI: 10.1016/j.bmc.2016.06.033
BindingDB Entry DOI: 10.7270/Q2RF5WZ4
More data for this
Ligand-Target Pair