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13 similar compounds to monomer 50256397

Compile data set for download or QSAR
Wt: 381.4
BDBM50256448
Wt: 457.5
BDBM50256527
Wt: 475.6
BDBM50256579
Wt: 316.3
BDBM50256395
Wt: 441.4
BDBM50256398
Wt: 431.4
BDBM50256396
Wt: 381.4
BDBM50256445
Wt: 466.5
BDBM50256446
Wt: 415.9
BDBM50256447
Wt: 473.5
BDBM50256524
Wt: 459.5
BDBM50256525
Wt: 353.4
BDBM50256526
Wt: 476.6
BDBM50256528

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50256448,50256527,50256579,50256395,50256398,50256396,50256445,50256446,50256447,50256524,50256525,50256526,50256528   
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
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50256528
PNG
(CHEMBL4087871)
Show SMILES CCCCCc1cc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(C)(C)C
Show InChI InChI=1/C26H37FN2O3S/c1-7-8-9-10-20-15-22(26(3,4)5)13-11-21(20)17-28-25(30)18(2)19-12-14-24(23(27)16-19)29-33(6,31)32/h11-16,18,29H,7-10,17H2,1-6H3,(H,28,30)
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2.80n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin induced calcium influx pretreated for 6 mins followed...


Bioorg Med Chem 25: 2451-2462 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50256398
PNG
(CHEMBL4064089)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2)c(c1)-c1cn(C)c2c1cc[nH]c2=O
Show InChI InChI=1S/C22H20FN3O4S/c1-3-31(28,29)25-15-6-9-20(30-16-7-4-14(23)5-8-16)18(12-15)19-13-26(2)21-17(19)10-11-24-22(21)27/h4-13,25H,3H2,1-2H3,(H,24,27)
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5.5n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) expressed in human H1299 cells co-expressing HPV16-LCR/E2 after 24 hrs by Bright Glo-luciferase reporter gene ass...


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50256579
PNG
(CHEMBL4101614)
Show SMILES CC(C(=O)NCc1ccc(cc1N1CCCC1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C25H34FN3O3S/c1-17(18-9-11-22(21(26)14-18)28-33(5,31)32)24(30)27-16-19-8-10-20(25(2,3)4)15-23(19)29-12-6-7-13-29/h8-11,14-15,17,28H,6-7,12-13,16H2,1-5H3,(H,27,30)
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8.10n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin induced calcium influx pretreated for 6 mins followed...


Bioorg Med Chem 25: 2451-2462 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50256395
PNG
(CHEMBL4103937)
Show SMILES Cn1cc(-c2ccccc2Oc2ccccc2)c2cc[nH]c(=O)c12
Show InChI InChI=1S/C20H16N2O2/c1-22-13-17(16-11-12-21-20(23)19(16)22)15-9-5-6-10-18(15)24-14-7-3-2-4-8-14/h2-13H,1H3,(H,21,23)
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120n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged BRD4 BD1-BD2 (K57 to K550 residues) (unknown origin) after 1 hr by Alexa-647-conjugated probe based TR-FRET assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50256396
PNG
(CHEMBL4079208)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(ccc1Oc1ccc(F)cc1F)S(C)(=O)=O
Show InChI InChI=1S/C22H19F2NO4S/c1-12-21-15(4-3-5-18(21)26)22(25-12)16-11-14(30(2,27)28)7-9-19(16)29-20-8-6-13(23)10-17(20)24/h6-11,25H,3-5H2,1-2H3
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460n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged BRD4 BD1-BD2 (K57 to K550 residues) (unknown origin) after 1 hr by Alexa-647-conjugated probe based TR-FRET assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50256448
PNG
(CHEMBL4089483)
Show SMILES Cn1cccc1\C=N\NC(=O)c1ccc(cc1)-c1nc2ccccc2n1CC#C
Show InChI InChI=1S/C23H19N5O/c1-3-14-28-21-9-5-4-8-20(21)25-22(28)17-10-12-18(13-11-17)23(29)26-24-16-19-7-6-15-27(19)2/h1,4-13,15-16H,14H2,2H3,(H,26,29)/b24-16+
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n/an/a 1.22E+4n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using tyramine as substrate pretreated for 30 mins followed ...


Eur J Med Chem 131: 92-106 (2017)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50256524
PNG
(CHEMBL4075849)
Show SMILES COc1cc(\C=C(/C(C)=O)C(=O)NCCCNc2c3CCCCc3nc3ccccc23)ccc1O
Show InChI InChI=1S/C28H31N3O4/c1-18(32)22(16-19-12-13-25(33)26(17-19)35-2)28(34)30-15-7-14-29-27-20-8-3-5-10-23(20)31-24-11-6-4-9-21(24)27/h3,5,8,10,12-13,16-17,33H,4,6-7,9,11,14-15H2,1-2H3,(H,29,31)(H,30,34)/b22-16+
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n/an/a 1.26E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured at...


Bioorg Med Chem 25: 2387-2398 (2017)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50256525
PNG
(CHEMBL4093399)
Show SMILES CC(=O)C(Cc1ccc(O)cc1)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1/C28H33N3O3/c1-19(32)24(18-20-12-14-21(33)15-13-20)28(34)30-17-7-6-16-29-27-22-8-2-4-10-25(22)31-26-11-5-3-9-23(26)27/h2,4,8,10,12-15,24,33H,3,5-7,9,11,16-18H2,1H3,(H,29,31)(H,30,34)
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n/an/a 1.99E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured at...


Bioorg Med Chem 25: 2387-2398 (2017)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50256526
PNG
(CHEMBL4074424)
Show SMILES CC(=O)CC(=O)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C21H27N3O2/c1-15(25)14-20(26)22-12-6-7-13-23-21-16-8-2-4-10-18(16)24-19-11-5-3-9-17(19)21/h2,4,8,10H,3,5-7,9,11-14H2,1H3,(H,22,26)(H,23,24)
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n/an/a 90n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured at...


Bioorg Med Chem 25: 2387-2398 (2017)

More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50256524
PNG
(CHEMBL4075849)
Show SMILES COc1cc(\C=C(/C(C)=O)C(=O)NCCCNc2c3CCCCc3nc3ccccc23)ccc1O
Show InChI InChI=1S/C28H31N3O4/c1-18(32)22(16-19-12-13-25(33)26(17-19)35-2)28(34)30-15-7-14-29-27-20-8-3-5-10-23(20)31-24-11-6-4-9-21(24)27/h3,5,8,10,12-13,16-17,33H,4,6-7,9,11,14-15H2,1-2H3,(H,29,31)(H,30,34)/b22-16+
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n/an/a 1.87E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured at 1 mi...


Bioorg Med Chem 25: 2387-2398 (2017)

More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50256527
PNG
(CHEMBL4074267)
Show SMILES CC(=O)C(=C/c1ccc(O)cc1)\C(=O)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C28H31N3O3/c1-19(32)24(18-20-12-14-21(33)15-13-20)28(34)30-17-7-6-16-29-27-22-8-2-4-10-25(22)31-26-11-5-3-9-23(26)27/h2,4,8,10,12-15,18,33H,3,5-7,9,11,16-17H2,1H3,(H,29,31)(H,30,34)/b24-18+
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n/an/a 4.77E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured at 1 mi...


Bioorg Med Chem 25: 2387-2398 (2017)

More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50256525
PNG
(CHEMBL4093399)
Show SMILES CC(=O)C(Cc1ccc(O)cc1)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1/C28H33N3O3/c1-19(32)24(18-20-12-14-21(33)15-13-20)28(34)30-17-7-6-16-29-27-22-8-2-4-10-25(22)31-26-11-5-3-9-23(26)27/h2,4,8,10,12-15,24,33H,3,5-7,9,11,16-18H2,1H3,(H,29,31)(H,30,34)
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n/an/a 390n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured at 1 mi...


Bioorg Med Chem 25: 2387-2398 (2017)

More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50256526
PNG
(CHEMBL4074424)
Show SMILES CC(=O)CC(=O)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C21H27N3O2/c1-15(25)14-20(26)22-12-6-7-13-23-21-16-8-2-4-10-18(16)24-19-11-5-3-9-17(19)21/h2,4,8,10H,3,5-7,9,11-14H2,1H3,(H,22,26)(H,23,24)
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n/an/a 160n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured at 1 mi...


Bioorg Med Chem 25: 2387-2398 (2017)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50256527
PNG
(CHEMBL4074267)
Show SMILES CC(=O)C(=C/c1ccc(O)cc1)\C(=O)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C28H31N3O3/c1-19(32)24(18-20-12-14-21(33)15-13-20)28(34)30-17-7-6-16-29-27-22-8-2-4-10-25(22)31-26-11-5-3-9-23(26)27/h2,4,8,10,12-15,18,33H,3,5-7,9,11,16-17H2,1H3,(H,29,31)(H,30,34)/b24-18+
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n/an/a 3.80E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Torpedo californica AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured at...


Bioorg Med Chem 25: 2387-2398 (2017)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50256447
PNG
(CHEMBL4079340)
Show SMILES COc1ccc(\C=C\C(=O)OCC2CCN(Cc3ccc(Cl)cc3)CC2)cc1O
Show InChI InChI=1S/C23H26ClNO4/c1-28-22-8-4-17(14-21(22)26)5-9-23(27)29-16-19-10-12-25(13-11-19)15-18-2-6-20(24)7-3-18/h2-9,14,19,26H,10-13,15-16H2,1H3/b9-5+
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n/an/a>3.00E+4n/an/an/an/an/an/a



Federal University of Alfenas

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...


Eur J Med Chem 130: 440-457 (2017)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50256446
PNG
(CHEMBL4059856)
Show SMILES COc1ccc(\C=C\C(=O)OCC2CCN(Cc3ccc(cc3)N3CCOCC3)CC2)cc1O
Show InChI InChI=1S/C27H34N2O5/c1-32-26-8-4-21(18-25(26)30)5-9-27(31)34-20-23-10-12-28(13-11-23)19-22-2-6-24(7-3-22)29-14-16-33-17-15-29/h2-9,18,23,30H,10-17,19-20H2,1H3/b9-5+
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n/an/a>3.00E+4n/an/an/an/an/an/a



Federal University of Alfenas

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...


Eur J Med Chem 130: 440-457 (2017)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50256445
PNG
(CHEMBL4071765)
Show SMILES COc1ccc(\C=C\C(=O)OCC2CCN(Cc3ccccc3)CC2)cc1O
Show InChI InChI=1S/C23H27NO4/c1-27-22-9-7-18(15-21(22)25)8-10-23(26)28-17-20-11-13-24(14-12-20)16-19-5-3-2-4-6-19/h2-10,15,20,25H,11-14,16-17H2,1H3/b10-8+
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n/an/a>3.00E+4n/an/an/an/an/an/a



Federal University of Alfenas

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...


Eur J Med Chem 130: 440-457 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50256398
PNG
(CHEMBL4064089)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2)c(c1)-c1cn(C)c2c1cc[nH]c2=O
Show InChI InChI=1S/C22H20FN3O4S/c1-3-31(28,29)25-15-6-9-20(30-16-7-4-14(23)5-8-16)18(12-15)19-13-26(2)21-17(19)10-11-24-22(21)27/h4-13,25H,3H2,1-2H3,(H,24,27)
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n/an/an/an/a 47n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) expressed in human H1299 cells co-expressing HPV16-LCR/E2 after 24 hrs by Bright Glo-luciferase reporter gene ass...


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50256396
PNG
(CHEMBL4079208)
Show SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1cc(ccc1Oc1ccc(F)cc1F)S(C)(=O)=O
Show InChI InChI=1S/C22H19F2NO4S/c1-12-21-15(4-3-5-18(21)26)22(25-12)16-11-14(30(2,27)28)7-9-19(16)29-20-8-6-13(23)10-17(20)24/h6-11,25H,3-5H2,1-2H3
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n/an/an/an/a 1.40E+3n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) expressed in human H1299 cells co-expressing HPV16-LCR/E2 after 24 hrs by Bright Glo-luciferase reporter gene ass...


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50256395
PNG
(CHEMBL4103937)
Show SMILES Cn1cc(-c2ccccc2Oc2ccccc2)c2cc[nH]c(=O)c12
Show InChI InChI=1S/C20H16N2O2/c1-22-13-17(16-11-12-21-20(23)19(16)22)15-9-5-6-10-18(15)24-14-7-3-2-4-8-14/h2-13H,1H3,(H,21,23)
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n/an/an/an/a 1.10E+3n/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged BRD4 BD1-BD2 (K57 to K550 residues) (unknown origin) after 1 hr by Alexa-647-conjugated probe based TR-FRET assay


Bioorg Med Chem Lett 27: 2225-2233 (2017)

More data for this
Ligand-Target Pair