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8 similar compounds to monomer 50232310

Compile data set for download or QSAR
Wt: 368.4
BDBM50232308
Wt: 452.6
BDBM50232309
Wt: 336.3
BDBM50232341
Wt: 405.5
BDBM50232311
Wt: 408.5
BDBM50232312
Wt: 366.4
BDBM50232314
Wt: 492.6
BDBM50232313
Wt: 292.2
BDBM50232340

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50232308,50232309,50232341,50232311,50232312,50232314,50232313,50232340   
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
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50232308
PNG
(CHEMBL4085671)
Show SMILES COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCCCN(C)C
Show InChI InChI=1S/C22H28N2O3/c1-24(2)15-7-8-16-27-20-13-11-18(17-21(20)26-3)12-14-22(25)23-19-9-5-4-6-10-19/h4-6,9-14,17H,7-8,15-16H2,1-3H3,(H,23,25)/b14-12+
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n/an/a 26n/an/an/an/an/an/a



Hu'nan University

Curated by ChEMBL


Assay Description
Inhibition of butyrylcholinesterase (unknown origin) using butyrylthiocholine iodide as substrate after 25 mins by Ellmann method


Eur J Med Chem 126: 810-822 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.003
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50232341
PNG
(CHEMBL4065301)
Show SMILES COc1cccc(-c2nnc(Cc3nc4ccccc4[nH]3)o2)c1OC
Show InChI InChI=1S/C18H16N4O3/c1-23-14-9-5-6-11(17(14)24-2)18-22-21-16(25-18)10-15-19-12-7-3-4-8-13(12)20-15/h3-9H,10H2,1-2H3,(H,19,20)
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n/an/a 6.10E+4n/an/an/an/an/an/a



Hamdard University

Curated by ChEMBL


Assay Description
Inhibition of EGF induced EGFR phosphorylation in human KB cells preincubated for 90 mins followed by EGF addition for 5 mins by sandwich ELISA metho...


Eur J Med Chem 126: 853-869 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.014
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50232311
PNG
(CHEMBL4087978)
Show SMILES CCOC(=O)\C=C\c1ccc(OCCCCCCCCN(CC)CC)c(OC)c1
Show InChI InChI=1S/C24H39NO4/c1-5-25(6-2)18-12-10-8-9-11-13-19-29-22-16-14-21(20-23(22)27-4)15-17-24(26)28-7-3/h14-17,20H,5-13,18-19H2,1-4H3/b17-15+
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n/an/a 13n/an/an/an/an/an/a



Hu'nan University

Curated by ChEMBL


Assay Description
Inhibition of butyrylcholinesterase (unknown origin) using butyrylthiocholine iodide as substrate after 25 mins by Ellmann method


Eur J Med Chem 126: 810-822 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.003
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50232312
PNG
(CHEMBL4069385)
Show SMILES COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCCCN1CCCCC1
Show InChI InChI=1S/C25H32N2O3/c1-29-24-20-21(13-15-25(28)26-22-10-4-2-5-11-22)12-14-23(24)30-19-9-8-18-27-16-6-3-7-17-27/h2,4-5,10-15,20H,3,6-9,16-19H2,1H3,(H,26,28)/b15-13+
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n/an/a 5.70n/an/an/an/an/an/a



Hu'nan University

Curated by ChEMBL


Assay Description
Inhibition of butyrylcholinesterase (unknown origin) using butyrylthiocholine iodide as substrate after 25 mins by Ellmann method


Eur J Med Chem 126: 810-822 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.003
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50232313
PNG
(CHEMBL4074258)
Show SMILES COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCCCCCCCCCN1CCCCC1
Show InChI InChI=1S/C31H44N2O3/c1-35-30-26-27(19-21-31(34)32-28-16-10-8-11-17-28)18-20-29(30)36-25-15-7-5-3-2-4-6-12-22-33-23-13-9-14-24-33/h8,10-11,16-21,26H,2-7,9,12-15,22-25H2,1H3,(H,32,34)/b21-19+
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n/an/a 4.80n/an/an/an/an/an/a



Hu'nan University

Curated by ChEMBL


Assay Description
Inhibition of butyrylcholinesterase (unknown origin) using butyrylthiocholine iodide as substrate after 25 mins by Ellmann method


Eur J Med Chem 126: 810-822 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.003
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50232314
PNG
(CHEMBL4101703)
Show SMILES COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCN1CCCC1
Show InChI InChI=1S/C22H26N2O3/c1-26-21-17-18(10-12-22(25)23-19-7-3-2-4-8-19)9-11-20(21)27-16-15-24-13-5-6-14-24/h2-4,7-12,17H,5-6,13-16H2,1H3,(H,23,25)/b12-10+
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n/an/a 13n/an/an/an/an/an/a



Hu'nan University

Curated by ChEMBL


Assay Description
Inhibition of butyrylcholinesterase (unknown origin) using butyrylthiocholine iodide as substrate after 25 mins by Ellmann method


Eur J Med Chem 126: 810-822 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.003
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50232312
PNG
(CHEMBL4069385)
Show SMILES COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCCCN1CCCCC1
Show InChI InChI=1S/C25H32N2O3/c1-29-24-20-21(13-15-25(28)26-22-10-4-2-5-11-22)12-14-23(24)30-19-9-8-18-27-16-6-3-7-17-27/h2,4-5,10-15,20H,3,6-9,16-19H2,1H3,(H,26,28)/b15-13+
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n/an/a 7.10n/an/an/an/an/an/a



Hu'nan University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate after 25 mins by Ellmann method


Eur J Med Chem 126: 810-822 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.003
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50232313
PNG
(CHEMBL4074258)
Show SMILES COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCCCCCCCCCN1CCCCC1
Show InChI InChI=1S/C31H44N2O3/c1-35-30-26-27(19-21-31(34)32-28-16-10-8-11-17-28)18-20-29(30)36-25-15-7-5-3-2-4-6-12-22-33-23-13-9-14-24-33/h8,10-11,16-21,26H,2-7,9,12-15,22-25H2,1H3,(H,32,34)/b21-19+
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n/an/a 11n/an/an/an/an/an/a



Hu'nan University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate after 25 mins by Ellmann method


Eur J Med Chem 126: 810-822 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.003
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50232314
PNG
(CHEMBL4101703)
Show SMILES COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCN1CCCC1
Show InChI InChI=1S/C22H26N2O3/c1-26-21-17-18(10-12-22(25)23-19-7-3-2-4-8-19)9-11-20(21)27-16-15-24-13-5-6-14-24/h2-4,7-12,17H,5-6,13-16H2,1H3,(H,23,25)/b12-10+
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n/an/a 35n/an/an/an/an/an/a



Hu'nan University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate after 25 mins by Ellmann method


Eur J Med Chem 126: 810-822 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.003
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50232311
PNG
(CHEMBL4087978)
Show SMILES CCOC(=O)\C=C\c1ccc(OCCCCCCCCN(CC)CC)c(OC)c1
Show InChI InChI=1S/C24H39NO4/c1-5-25(6-2)18-12-10-8-9-11-13-19-29-22-16-14-21(20-23(22)27-4)15-17-24(26)28-7-3/h14-17,20H,5-13,18-19H2,1-4H3/b17-15+
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n/an/a 1.60n/an/an/an/an/an/a



Hu'nan University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate after 25 mins by Ellmann method


Eur J Med Chem 126: 810-822 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.003
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50232308
PNG
(CHEMBL4085671)
Show SMILES COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCCCN(C)C
Show InChI InChI=1S/C22H28N2O3/c1-24(2)15-7-8-16-27-20-13-11-18(17-21(20)26-3)12-14-22(25)23-19-9-5-4-6-10-19/h4-6,9-14,17H,7-8,15-16H2,1-3H3,(H,23,25)/b14-12+
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n/an/a 101n/an/an/an/an/an/a



Hu'nan University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate after 25 mins by Ellmann method


Eur J Med Chem 126: 810-822 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.003
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50232309
PNG
(CHEMBL4086323)
Show SMILES COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCCCCCCCCCN(C)C
Show InChI InChI=1S/C28H40N2O3/c1-30(2)21-13-8-6-4-5-7-9-14-22-33-26-19-17-24(23-27(26)32-3)18-20-28(31)29-25-15-11-10-12-16-25/h10-12,15-20,23H,4-9,13-14,21-22H2,1-3H3,(H,29,31)/b20-18+
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n/an/a 9.90n/an/an/an/an/an/a



Hu'nan University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate after 25 mins by Ellmann method


Eur J Med Chem 126: 810-822 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.003
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50232340
PNG
(CHEMBL4059610)
Show SMILES Oc1ccc(cc1)-c1nnc(Cc2nc3ccccc3[nH]2)o1
Show InChI InChI=1S/C16H12N4O2/c21-11-7-5-10(6-8-11)16-20-19-15(22-16)9-14-17-12-3-1-2-4-13(12)18-14/h1-8,21H,9H2,(H,17,18)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Hamdard University

Curated by ChEMBL


Assay Description
Inhibition of EGF induced EGFR phosphorylation in human KB cells preincubated for 90 mins followed by EGF addition for 5 mins by sandwich ELISA metho...


Eur J Med Chem 126: 853-869 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.014
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50232341
PNG
(CHEMBL4065301)
Show SMILES COc1cccc(-c2nnc(Cc3nc4ccccc4[nH]3)o2)c1OC
Show InChI InChI=1S/C18H16N4O3/c1-23-14-9-5-6-11(17(14)24-2)18-22-21-16(25-18)10-15-19-12-7-3-4-8-13(12)20-15/h3-9H,10H2,1-2H3,(H,19,20)
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n/an/a 6.10E+4n/an/an/an/an/an/a



Hamdard University

Curated by ChEMBL


Assay Description
Inhibition of EGF induced EGFR phosphorylation in human KB cells preincubated for 90 mins followed by EGF addition for 5 mins by sandwich ELISA metho...


Eur J Med Chem 126: 853-869 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.014
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50232341
PNG
(CHEMBL4065301)
Show SMILES COc1cccc(-c2nnc(Cc3nc4ccccc4[nH]3)o2)c1OC
Show InChI InChI=1S/C18H16N4O3/c1-23-14-9-5-6-11(17(14)24-2)18-22-21-16(25-18)10-15-19-12-7-3-4-8-13(12)20-15/h3-9H,10H2,1-2H3,(H,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Hamdard University

Curated by ChEMBL


Assay Description
Inhibition of HRG stimulated erbB2 phosphorylation in human MCF-7 cells preincubated for 90 mins followed by HRG addition for 5 mins by ELISA method


Eur J Med Chem 126: 853-869 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.014
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50232340
PNG
(CHEMBL4059610)
Show SMILES Oc1ccc(cc1)-c1nnc(Cc2nc3ccccc3[nH]2)o1
Show InChI InChI=1S/C16H12N4O2/c21-11-7-5-10(6-8-11)16-20-19-15(22-16)9-14-17-12-3-1-2-4-13(12)18-14/h1-8,21H,9H2,(H,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Hamdard University

Curated by ChEMBL


Assay Description
Inhibition of EGF induced EGFR phosphorylation in human KB cells preincubated for 90 mins followed by EGF addition for 5 mins by sandwich ELISA metho...


Eur J Med Chem 126: 853-869 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.014
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50232309
PNG
(CHEMBL4086323)
Show SMILES COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCCCCCCCCCN(C)C
Show InChI InChI=1S/C28H40N2O3/c1-30(2)21-13-8-6-4-5-7-9-14-22-33-26-19-17-24(23-27(26)32-3)18-20-28(31)29-25-15-11-10-12-16-25/h10-12,15-20,23H,4-9,13-14,21-22H2,1-3H3,(H,29,31)/b20-18+
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n/an/a 21n/an/an/an/an/an/a



Hu'nan University

Curated by ChEMBL


Assay Description
Inhibition of butyrylcholinesterase (unknown origin) using butyrylthiocholine iodide as substrate after 25 mins by Ellmann method


Eur J Med Chem 126: 810-822 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.003
More data for this
Ligand-Target Pair