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11 similar compounds to monomer 50117137

Compile data set for download or QSAR
Wt: 398.8
BDBM50109285
Wt: 454.9
BDBM50117116
Wt: 505.0
BDBM50117118
Wt: 426.9
BDBM50117124
Wt: 450.5
BDBM50117131
Wt: 422.5
BDBM50117132
Wt: 491.0
BDBM50117135
Wt: 477.0
BDBM50117139
Wt: 473.5
BDBM50117122
Wt: 455.5
BDBM50117136
Wt: 568.8
BDBM50117138

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50109285,50117116,50117118,50117124,50117131,50117132,50117135,50117139,50117122,50117136,50117138   
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
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50117122
PNG
(CHEMBL3613127)
Show SMILES COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccc(F)cc2)c1C#N
Show InChI InChI=1S/C24H16FN5OS2/c1-31-18-8-4-14(5-9-18)21-19(10-26)22(28)30-24(20(21)11-27)33-13-17-12-32-23(29-17)15-2-6-16(25)7-3-15/h2-9,12H,13H2,1H3,(H2,28,30)
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2.30n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes by competition association assay


Eur J Med Chem 101: 681-91 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.023
BindingDB Entry DOI: 10.7270/Q2FX7C8R
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50117136
PNG
(CHEMBL3613125)
Show SMILES COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccccc2)c1C#N
Show InChI InChI=1S/C24H17N5OS2/c1-30-18-9-7-15(8-10-18)21-19(11-25)22(27)29-24(20(21)12-26)32-14-17-13-31-23(28-17)16-5-3-2-4-6-16/h2-10,13H,14H2,1H3,(H2,27,29)
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8.40n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes by competition association assay


Eur J Med Chem 101: 681-91 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.023
BindingDB Entry DOI: 10.7270/Q2FX7C8R
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50109285
PNG
(2-(3-(4-(2-chlorophenyl)piperazin-1-yl)propyl)-6-(...)
Show SMILES Clc1ccccc1N1CCN(CCCn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C20H23ClN6O/c21-17-4-1-2-5-18(17)25-14-12-24(13-15-25)9-3-10-27-20(28)7-6-19(23-27)26-11-8-22-16-26/h1-2,4-8,11,16H,3,9-10,12-15H2
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48n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity by its ability to displace [3H]prazosin radioligand from Alpha-1 adrenergic receptor on rat cerebral cortex


Bioorg Med Chem Lett 12: 437-40 (2002)


Article DOI: 10.1016/s0960-894x(01)00772-7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50117131
PNG
(6-(1H-imidazol-1-yl)-2-(7-(4-(2-methoxyphenyl)pipe...)
Show SMILES COc1ccccc1N1CCN(CCCCCCCn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C25H34N6O2/c1-33-23-10-6-5-9-22(23)29-19-17-28(18-20-29)14-7-3-2-4-8-15-31-25(32)12-11-24(27-31)30-16-13-26-21-30/h5-6,9-13,16,21H,2-4,7-8,14-15,17-20H2,1H3
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98.7n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor by displacing [3H]-8-OH-DPAT radioligand in rat cortex membrane


J Med Chem 45: 3603-11 (2002)


Article DOI: 10.1021/jm011077g
BindingDB Entry DOI: 10.7270/Q2NV9HMT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50117116
PNG
(2-(7-(4-(2-chlorophenyl)piperazin-1-yl)heptyl)-6-(...)
Show SMILES Clc1ccccc1N1CCN(CCCCCCCn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C24H31ClN6O/c25-21-8-4-5-9-22(21)29-18-16-28(17-19-29)13-6-2-1-3-7-14-31-24(32)11-10-23(27-31)30-15-12-26-20-30/h4-5,8-12,15,20H,1-3,6-7,13-14,16-19H2
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123n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor by displacing [3H]-8-OH-DPAT radioligand in rat cortex membrane


J Med Chem 45: 3603-11 (2002)


Article DOI: 10.1021/jm011077g
BindingDB Entry DOI: 10.7270/Q2NV9HMT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50117138
PNG
(CHEMBL3613123)
Show SMILES COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2nc(sc2Br)-c2ccc(Cl)cc2)c1C#N
Show InChI InChI=1S/C24H15BrClN5OS2/c1-32-16-8-4-13(5-9-16)20-17(10-27)22(29)31-24(18(20)11-28)33-12-19-21(25)34-23(30-19)14-2-6-15(26)7-3-14/h2-9H,12H2,1H3,(H2,29,31)
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162n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes by competition association assay


Eur J Med Chem 101: 681-91 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.023
BindingDB Entry DOI: 10.7270/Q2FX7C8R
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50117118
PNG
(6-(1H-benzo[d]imidazol-1-yl)-2-(7-(4-(2-chlorophen...)
Show SMILES Clc1ccccc1N1CCN(CCCCCCCn2nc(ccc2=O)-n2cnc3ccccc23)CC1
Show InChI InChI=1S/C28H33ClN6O/c29-23-10-4-6-12-25(23)33-20-18-32(19-21-33)16-8-2-1-3-9-17-35-28(36)15-14-27(31-35)34-22-30-24-11-5-7-13-26(24)34/h4-7,10-15,22H,1-3,8-9,16-21H2
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182n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor by displacing [3H]-8-OH-DPAT radioligand in rat cortex membrane


J Med Chem 45: 3603-11 (2002)


Article DOI: 10.1021/jm011077g
BindingDB Entry DOI: 10.7270/Q2NV9HMT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50117132
PNG
(6-(1H-imidazol-1-yl)-2-(5-(4-(2-methoxyphenyl)pipe...)
Show SMILES COc1ccccc1N1CCN(CCCCCn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C23H30N6O2/c1-31-21-8-4-3-7-20(21)27-17-15-26(16-18-27)12-5-2-6-13-29-23(30)10-9-22(25-29)28-14-11-24-19-28/h3-4,7-11,14,19H,2,5-6,12-13,15-18H2,1H3
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223n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor by displacing [3H]-8-OH-DPAT radioligand in rat cortex membrane


J Med Chem 45: 3603-11 (2002)


Article DOI: 10.1021/jm011077g
BindingDB Entry DOI: 10.7270/Q2NV9HMT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50117124
PNG
(2-{5-[4-(2-Chloro-phenyl)-piperazin-1-yl]-pentyl}-...)
Show SMILES Clc1ccccc1N1CCN(CCCCCn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C22H27ClN6O/c23-19-6-2-3-7-20(19)27-16-14-26(15-17-27)11-4-1-5-12-29-22(30)9-8-21(25-29)28-13-10-24-18-28/h2-3,6-10,13,18H,1,4-5,11-12,14-17H2
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323n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor by displacing [3H]-8-OH-DPAT radioligand in rat cortex membrane


J Med Chem 45: 3603-11 (2002)


Article DOI: 10.1021/jm011077g
BindingDB Entry DOI: 10.7270/Q2NV9HMT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50117139
PNG
(6-(1H-benzo[d]imidazol-1-yl)-2-(5-(4-(2-chlorophen...)
Show SMILES Clc1ccccc1N1CCN(CCCCCn2nc(ccc2=O)-n2cnc3ccccc23)CC1
Show InChI InChI=1S/C26H29ClN6O/c27-21-8-2-4-10-23(21)31-18-16-30(17-19-31)14-6-1-7-15-33-26(34)13-12-25(29-33)32-20-28-22-9-3-5-11-24(22)32/h2-5,8-13,20H,1,6-7,14-19H2
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351n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor by displacing [3H]-8-OH-DPAT radioligand in rat cortex membrane


J Med Chem 45: 3603-11 (2002)


Article DOI: 10.1021/jm011077g
BindingDB Entry DOI: 10.7270/Q2NV9HMT
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50109285
PNG
(2-(3-(4-(2-chlorophenyl)piperazin-1-yl)propyl)-6-(...)
Show SMILES Clc1ccccc1N1CCN(CCCn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C20H23ClN6O/c21-17-4-1-2-5-18(17)25-14-12-24(13-15-25)9-3-10-27-20(28)7-6-19(23-27)26-11-8-22-16-26/h1-2,4-8,11,16H,3,9-10,12-15H2
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437n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity by its ability to displace [3H]rauwolscine radioligand from Alpha-2 adrenergic receptor on rat cerebral cortex


Bioorg Med Chem Lett 12: 437-40 (2002)


Article DOI: 10.1016/s0960-894x(01)00772-7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50117135
PNG
(6-(1H-benzo[d]imidazol-1-yl)-2-(6-(4-(2-chlorophen...)
Show SMILES Clc1ccccc1N1CCN(CCCCCCn2nc(ccc2=O)-n2cnc3ccccc23)CC1
Show InChI InChI=1S/C27H31ClN6O/c28-22-9-3-5-11-24(22)32-19-17-31(18-20-32)15-7-1-2-8-16-34-27(35)14-13-26(30-34)33-21-29-23-10-4-6-12-25(23)33/h3-6,9-14,21H,1-2,7-8,15-20H2
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617n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor by displacing [3H]-8-OH-DPAT radioligand in rat cortex membrane


J Med Chem 45: 3603-11 (2002)


Article DOI: 10.1021/jm011077g
BindingDB Entry DOI: 10.7270/Q2NV9HMT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50109285
PNG
(2-(3-(4-(2-chlorophenyl)piperazin-1-yl)propyl)-6-(...)
Show SMILES Clc1ccccc1N1CCN(CCCn2nc(ccc2=O)-n2ccnc2)CC1
Show InChI InChI=1S/C20H23ClN6O/c21-17-4-1-2-5-18(17)25-14-12-24(13-15-25)9-3-10-27-20(28)7-6-19(23-27)26-11-8-22-16-26/h1-2,4-8,11,16H,3,9-10,12-15H2
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617n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor by displacing [3H]-8-OH-DPAT radioligand in rat cortex membrane


J Med Chem 45: 3603-11 (2002)


Article DOI: 10.1021/jm011077g
BindingDB Entry DOI: 10.7270/Q2NV9HMT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50117136
PNG
(CHEMBL3613125)
Show SMILES COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccccc2)c1C#N
Show InChI InChI=1S/C24H17N5OS2/c1-30-18-9-7-15(8-10-18)21-19(11-25)22(27)29-24(20(21)12-26)32-14-17-13-31-23(28-17)16-5-3-2-4-6-16/h2-10,13H,14H2,1H3,(H2,27,29)
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n/an/an/an/a 1.90n/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A1 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Eur J Med Chem 101: 681-91 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.023
BindingDB Entry DOI: 10.7270/Q2FX7C8R
More data for this
Ligand-Target Pair