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10 similar compounds to monomer 50236802

Compile data set for download or QSAR
Wt: 251.3
BDBM50223404
Wt: 223.6
BDBM50223408
Wt: 232.2
BDBM50223414
Wt: 550.0
BDBM50236781
Wt: 399.5
BDBM50236799
Wt: 455.6
BDBM50236780
Wt: 441.5
BDBM50236791
Wt: 438.3
BDBM50236797
Wt: 478.4
BDBM50236798
Wt: 448.3
BDBM50236800

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50223404,50223408,50223414,50236781,50236799,50236780,50236791,50236797,50236798,50236800   
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 (5-HT) receptor


(Homo sapiens (Human))
BDBM50236780
PNG
(CHEMBL4068232)
Show SMILES CCN1CCN(Cc2cn(c3ccc(OC)cc23)S(=O)(=O)c2ccc(cc2)C(C)C)CC1
Show InChI InChI=1S/C25H33N3O3S/c1-5-26-12-14-27(15-13-26)17-21-18-28(25-11-8-22(31-4)16-24(21)25)32(29,30)23-9-6-20(7-10-23)19(2)3/h6-11,16,18-19H,5,12-15,17H2,1-4H3
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1.70n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from recombinant human 5-HT6 receptor expressed in HEK293 cells after 60 mins


J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236798
PNG
(CHEMBL4064995)
Show SMILES COc1ccc2n(cc(CN3CCN(C)CC3)c2c1)S(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C21H24BrN3O3S/c1-23-9-11-24(12-10-23)14-16-15-25(21-8-5-18(28-2)13-20(16)21)29(26,27)19-6-3-17(22)4-7-19/h3-8,13,15H,9-12,14H2,1-2H3
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10n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from recombinant human 5-HT6 receptor expressed in HEK293 cells after 60 mins


J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236800
PNG
(CHEMBL4100818)
Show SMILES CN1CCN(Cc2cn(c3ccccc23)S(=O)(=O)c2cccc(Br)c2)CC1
Show InChI InChI=1S/C20H22BrN3O2S/c1-22-9-11-23(12-10-22)14-16-15-24(20-8-3-2-7-19(16)20)27(25,26)18-6-4-5-17(21)13-18/h2-8,13,15H,9-12,14H2,1H3
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19n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Agonist efficacy as effective concentration to stimulate binding of [35S]GTP-gamma-S, by activation of human A3AR receptor


J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236799
PNG
(CHEMBL4095670)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1cc(CN2CCN(C)CC2)c2ccccc12
Show InChI InChI=1S/C21H25N3O3S/c1-22-11-13-23(14-12-22)15-17-16-24(21-6-4-3-5-20(17)21)28(25,26)19-9-7-18(27-2)8-10-19/h3-10,16H,11-15H2,1-2H3
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25n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from recombinant human 5-HT6 receptor expressed in HEK293 cells after 60 mins


J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236797
PNG
(CHEMBL4074234)
Show SMILES CN1CCN(Cc2cn(c3ccccc23)S(=O)(=O)c2ccc(Cl)cc2Cl)CC1
Show InChI InChI=1S/C20H21Cl2N3O2S/c1-23-8-10-24(11-9-23)13-15-14-25(19-5-3-2-4-17(15)19)28(26,27)20-7-6-16(21)12-18(20)22/h2-7,12,14H,8-11,13H2,1H3
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28n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from recombinant human 5-HT6 receptor expressed in HEK293 cells after 60 mins


J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236791
PNG
(CHEMBL4066047)
Show SMILES COc1ccc2c(CN3CCN(C)CC3)cn(c2c1)S(=O)(=O)c1ccc(cc1)C(C)C
Show InChI InChI=1S/C24H31N3O3S/c1-18(2)19-5-8-22(9-6-19)31(28,29)27-17-20(16-26-13-11-25(3)12-14-26)23-10-7-21(30-4)15-24(23)27/h5-10,15,17-18H,11-14,16H2,1-4H3
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36n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from recombinant human 5-HT6 receptor expressed in HEK293 cells after 60 mins


J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50236781
PNG
(CHEMBL4067857)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)OCCc1ccccc1)C#Cc1ccc(Cl)s1
Show InChI InChI=1S/C27H24ClN5O4S/c1-29-24-20-25(32-19(31-24)10-8-16-7-9-18(28)38-16)33(14-30-20)21-17-13-27(17,23(35)22(21)34)26(36)37-12-11-15-5-3-2-4-6-15/h2-7,9,14,17,21-23,34-35H,11-13H2,1H3,(H,29,31,32)/t17-,21-,22+,23+,27+/m1/s1
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262n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from human A3AR expressed in HEK293T cells pre-incubated for 10 mins be...


J Med Chem 60: 3109-3123 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00141
BindingDB Entry DOI: 10.7270/Q2Z60RBZ
More data for this
Ligand-Target Pair
Sigma-2 receptor


(Rattus norvegicus (Rat))
BDBM50236781
PNG
(CHEMBL4067857)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)OCCc1ccccc1)C#Cc1ccc(Cl)s1
Show InChI InChI=1S/C27H24ClN5O4S/c1-29-24-20-25(32-19(31-24)10-8-16-7-9-18(28)38-16)33(14-30-20)21-17-13-27(17,23(35)22(21)34)26(36)37-12-11-15-5-3-2-4-6-15/h2-7,9,14,17,21-23,34-35H,11-13H2,1H3,(H,29,31,32)/t17-,21-,22+,23+,27+/m1/s1
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5.90E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Dissociation binding constant for Syk tandem SH2 domain


J Med Chem 60: 3109-3123 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00141
BindingDB Entry DOI: 10.7270/Q2Z60RBZ
More data for this
Ligand-Target Pair
Monoamine transporter


(Homo sapiens (Human))
BDBM50236781
PNG
(CHEMBL4067857)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)OCCc1ccccc1)C#Cc1ccc(Cl)s1
Show InChI InChI=1S/C27H24ClN5O4S/c1-29-24-20-25(32-19(31-24)10-8-16-7-9-18(28)38-16)33(14-30-20)21-17-13-27(17,23(35)22(21)34)26(36)37-12-11-15-5-3-2-4-6-15/h2-7,9,14,17,21-23,34-35H,11-13H2,1H3,(H,29,31,32)/t17-,21-,22+,23+,27+/m1/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Concentration required to inhibit binding of ICAM-1 to LFA-1 (Leukocyte function-associated antigen-1), evaluated ELISA


J Med Chem 60: 3109-3123 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00141
BindingDB Entry DOI: 10.7270/Q2Z60RBZ
More data for this
Ligand-Target Pair
Monoamine transporter


(Homo sapiens (Human))
BDBM50236781
PNG
(CHEMBL4067857)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)OCCc1ccccc1)C#Cc1ccc(Cl)s1
Show InChI InChI=1S/C27H24ClN5O4S/c1-29-24-20-25(32-19(31-24)10-8-16-7-9-18(28)38-16)33(14-30-20)21-17-13-27(17,23(35)22(21)34)26(36)37-12-11-15-5-3-2-4-6-15/h2-7,9,14,17,21-23,34-35H,11-13H2,1H3,(H,29,31,32)/t17-,21-,22+,23+,27+/m1/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]mazindol binding to recombinant human SERT expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand addi...


J Med Chem 60: 3109-3123 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00141
BindingDB Entry DOI: 10.7270/Q2Z60RBZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50223404
PNG
(CHEMBL277459)
Show SMILES CC(C)NC(C)C(O)COc1ccc(C)c(C)c1
Show InChI InChI=1S/C15H25NO2/c1-10(2)16-13(5)15(17)9-18-14-7-6-11(3)12(4)8-14/h6-8,10,13,15-17H,9H2,1-5H3
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n/an/an/an/a 997n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Blocking activity against Beta-1 adrenergic receptor in spontaneously beating guinea pig atrial preparations


J Med Chem 24: 1211-4 (1981)


Article DOI: 10.1021/jm00142a017
BindingDB Entry DOI: 10.7270/Q2CN7632
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50223404
PNG
(CHEMBL277459)
Show SMILES CC(C)NC(C)C(O)COc1ccc(C)c(C)c1
Show InChI InChI=1S/C15H25NO2/c1-10(2)16-13(5)15(17)9-18-14-7-6-11(3)12(4)8-14/h6-8,10,13,15-17H,9H2,1-5H3
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n/an/an/an/a 2.96E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Blocking activity against Beta-2 adrenergic receptor in guinea pig tracheal strips


J Med Chem 24: 1211-4 (1981)


Article DOI: 10.1021/jm00142a017
BindingDB Entry DOI: 10.7270/Q2CN7632
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50223414
PNG
(CHEMBL83750)
Show SMILES CN(C)c1ccc(\C=C\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C13H16N2O2/c1-15(2)12-9-7-11(8-10-12)5-3-4-6-13(16)14-17/h3-10,17H,1-2H3,(H,14,16)/b5-3+,6-4+
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n/an/a 1.70E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of histone deacetylase (HDAC) activity in HeLa cell nuclear extract


Bioorg Med Chem Lett 14: 2477-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.012
BindingDB Entry DOI: 10.7270/Q2S184Q6
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50223408
PNG
(CHEMBL312098)
Show SMILES ONC(=O)\C=C\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C11H10ClNO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(14)13-15/h1-8,15H,(H,13,14)/b3-1+,4-2+
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n/an/a 252n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of histone deacetylase (HDAC) activity in HeLa cell nuclear extract


Bioorg Med Chem Lett 14: 2477-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.012
BindingDB Entry DOI: 10.7270/Q2S184Q6
More data for this
Ligand-Target Pair