BindingDB logo
myBDB logout

11 similar compounds to monomer 50016856

Compile data set for download or QSAR
Wt: 320.4
BDBM53974
Purchase
Wt: 236.3
BDBM59060
Wt: 222.3
BDBM59061
Wt: 274.3
BDBM50297260
Wt: 300.3
BDBM50339944
Wt: 314.4
BDBM50339945
Wt: 328.4
BDBM50339946
Wt: 602.4
BDBM50016850
Wt: 302.2
BDBM50016864
Wt: 602.4
BDBM50016849
Wt: 344.2
BDBM50016870

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 53974,59060,59061,50297260,50339944,50339945,50339946,50016850,50016864,50016849,50016870   
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50016849
PNG
(CHEMBL3276410)
Show SMILES [Br-].[Br-].C(CCC[n+]1cc2ccccc2c2ccccc12)CC[n+]1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C32H30N2.2BrH/c1(11-21-33-23-25-13-3-5-15-27(25)29-17-7-9-19-31(29)33)2-12-22-34-24-26-14-4-6-16-28(26)30-18-8-10-20-32(30)34;;/h3-10,13-20,23-24H,1-2,11-12,21-22H2;2*1H/q+2;;/p-2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible mixed-type inhibition of electric eel acetylcholinesterase using acetylcholine bromide as substrate by Lineweaver-Burk plot analysis


J Med Chem 20: 1617-23 (1978)


Article DOI: 10.1021/jm00222a016
BindingDB Entry DOI: 10.7270/Q29025BQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50016849
PNG
(CHEMBL3276410)
Show SMILES [Br-].[Br-].C(CCC[n+]1cc2ccccc2c2ccccc12)CC[n+]1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C32H30N2.2BrH/c1(11-21-33-23-25-13-3-5-15-27(25)29-17-7-9-19-31(29)33)2-12-22-34-24-26-14-4-6-16-28(26)30-18-8-10-20-32(30)34;;/h3-10,13-20,23-24H,1-2,11-12,21-22H2;2*1H/q+2;;/p-2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible mixed-type inhibition of electric eel acetylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor comp...


J Med Chem 20: 1617-23 (1978)


Article DOI: 10.1021/jm00222a016
BindingDB Entry DOI: 10.7270/Q29025BQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50016850
PNG
(CHEMBL3276411)
Show SMILES C(CCC[n+]1cccc2c1ccc1ccccc21)CC[n+]1cccc2c1ccc1ccccc21
Show InChI InChI=1S/C32H30N2.2BrH/c1(7-21-33-23-9-15-29-27-13-5-3-11-25(27)17-19-31(29)33)2-8-22-34-24-10-16-30-28-14-6-4-12-26(28)18-20-32(30)34;;/h3-6,9-20,23-24H,1-2,7-8,21-22H2;2*1H/q+2;;/p-2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible mixed-type inhibition of electric eel acetylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor comp...


J Med Chem 20: 1617-23 (1978)


Article DOI: 10.1021/jm00222a016
BindingDB Entry DOI: 10.7270/Q29025BQ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50016849
PNG
(CHEMBL3276410)
Show SMILES [Br-].[Br-].C(CCC[n+]1cc2ccccc2c2ccccc12)CC[n+]1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C32H30N2.2BrH/c1(11-21-33-23-25-13-3-5-15-27(25)29-17-7-9-19-31(29)33)2-12-22-34-24-26-14-4-6-16-28(26)30-18-8-10-20-32(30)34;;/h3-10,13-20,23-24H,1-2,11-12,21-22H2;2*1H/q+2;;/p-2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
27n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible mixed-type inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor comp...


J Med Chem 20: 1617-23 (1978)


Article DOI: 10.1021/jm00222a016
BindingDB Entry DOI: 10.7270/Q29025BQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50016850
PNG
(CHEMBL3276411)
Show SMILES C(CCC[n+]1cccc2c1ccc1ccccc21)CC[n+]1cccc2c1ccc1ccccc21
Show InChI InChI=1S/C32H30N2.2BrH/c1(7-21-33-23-9-15-29-27-13-5-3-11-25(27)17-19-31(29)33)2-8-22-34-24-10-16-30-28-14-6-4-12-26(28)18-20-32(30)34;;/h3-6,9-20,23-24H,1-2,7-8,21-22H2;2*1H/q+2;;/p-2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
72n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible mixed-type inhibition of electric eel acetylcholinesterase using acetylcholine bromide as substrate by Lineweaver-Burk plot analysis


J Med Chem 20: 1617-23 (1978)


Article DOI: 10.1021/jm00222a016
BindingDB Entry DOI: 10.7270/Q29025BQ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50016849
PNG
(CHEMBL3276410)
Show SMILES [Br-].[Br-].C(CCC[n+]1cc2ccccc2c2ccccc12)CC[n+]1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C32H30N2.2BrH/c1(11-21-33-23-25-13-3-5-15-27(25)29-17-7-9-19-31(29)33)2-12-22-34-24-26-14-4-6-16-28(26)30-18-8-10-20-32(30)34;;/h3-10,13-20,23-24H,1-2,11-12,21-22H2;2*1H/q+2;;/p-2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
91n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible mixed-type inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate by Lineweaver-Burk plot analysis


J Med Chem 20: 1617-23 (1978)


Article DOI: 10.1021/jm00222a016
BindingDB Entry DOI: 10.7270/Q29025BQ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50016870
PNG
(CHEMBL3276416)
Show SMILES CCCCCC[n+]1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C19H22N.BrH/c1-2-3-4-9-14-20-15-16-10-5-6-11-17(16)18-12-7-8-13-19(18)20;/h5-8,10-13,15H,2-4,9,14H2,1H3;1H/q+1;/p-1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
120n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible mixed-type inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor comp...


J Med Chem 20: 1617-23 (1978)


Article DOI: 10.1021/jm00222a016
BindingDB Entry DOI: 10.7270/Q29025BQ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50016850
PNG
(CHEMBL3276411)
Show SMILES C(CCC[n+]1cccc2c1ccc1ccccc21)CC[n+]1cccc2c1ccc1ccccc21
Show InChI InChI=1S/C32H30N2.2BrH/c1(7-21-33-23-9-15-29-27-13-5-3-11-25(27)17-19-31(29)33)2-8-22-34-24-10-16-30-28-14-6-4-12-26(28)18-20-32(30)34;;/h3-6,9-20,23-24H,1-2,7-8,21-22H2;2*1H/q+2;;/p-2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
360n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible mixed-type inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor comp...


J Med Chem 20: 1617-23 (1978)


Article DOI: 10.1021/jm00222a016
BindingDB Entry DOI: 10.7270/Q29025BQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50016870
PNG
(CHEMBL3276416)
Show SMILES CCCCCC[n+]1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C19H22N.BrH/c1-2-3-4-9-14-20-15-16-10-5-6-11-17(16)18-12-7-8-13-19(18)20;/h5-8,10-13,15H,2-4,9,14H2,1H3;1H/q+1;/p-1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
530n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible mixed-type inhibition of electric eel acetylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor comp...


J Med Chem 20: 1617-23 (1978)


Article DOI: 10.1021/jm00222a016
BindingDB Entry DOI: 10.7270/Q29025BQ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50016870
PNG
(CHEMBL3276416)
Show SMILES CCCCCC[n+]1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C19H22N.BrH/c1-2-3-4-9-14-20-15-16-10-5-6-11-17(16)18-12-7-8-13-19(18)20;/h5-8,10-13,15H,2-4,9,14H2,1H3;1H/q+1;/p-1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
900n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible mixed-type inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate by Lineweaver-Burk plot analysis


J Med Chem 20: 1617-23 (1978)


Article DOI: 10.1021/jm00222a016
BindingDB Entry DOI: 10.7270/Q29025BQ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50016864
PNG
(CHEMBL3276415)
Show SMILES [Br-].CC(C)[n+]1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C16H16N.BrH/c1-12(2)17-11-13-7-3-4-8-14(13)15-9-5-6-10-16(15)17;/h3-12H,1-2H3;1H/q+1;/p-1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible mixed-type inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor comp...


J Med Chem 20: 1617-23 (1978)


Article DOI: 10.1021/jm00222a016
BindingDB Entry DOI: 10.7270/Q29025BQ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50016850
PNG
(CHEMBL3276411)
Show SMILES C(CCC[n+]1cccc2c1ccc1ccccc21)CC[n+]1cccc2c1ccc1ccccc21
Show InChI InChI=1S/C32H30N2.2BrH/c1(7-21-33-23-9-15-29-27-13-5-3-11-25(27)17-19-31(29)33)2-8-22-34-24-10-16-30-28-14-6-4-12-26(28)18-20-32(30)34;;/h3-6,9-20,23-24H,1-2,7-8,21-22H2;2*1H/q+2;;/p-2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible mixed-type inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate by Lineweaver-Burk plot analysis


J Med Chem 20: 1617-23 (1978)


Article DOI: 10.1021/jm00222a016
BindingDB Entry DOI: 10.7270/Q29025BQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50016870
PNG
(CHEMBL3276416)
Show SMILES CCCCCC[n+]1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C19H22N.BrH/c1-2-3-4-9-14-20-15-16-10-5-6-11-17(16)18-12-7-8-13-19(18)20;/h5-8,10-13,15H,2-4,9,14H2,1H3;1H/q+1;/p-1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible mixed-type inhibition of electric eel acetylcholinesterase using acetylcholine bromide as substrate by Lineweaver-Burk plot analysis


J Med Chem 20: 1617-23 (1978)


Article DOI: 10.1021/jm00222a016
BindingDB Entry DOI: 10.7270/Q29025BQ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50016864
PNG
(CHEMBL3276415)
Show SMILES [Br-].CC(C)[n+]1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C16H16N.BrH/c1-12(2)17-11-13-7-3-4-8-14(13)15-9-5-6-10-16(15)17;/h3-12H,1-2H3;1H/q+1;/p-1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible mixed-type inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate by Lineweaver-Burk plot analysis


J Med Chem 20: 1617-23 (1978)


Article DOI: 10.1021/jm00222a016
BindingDB Entry DOI: 10.7270/Q29025BQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50016864
PNG
(CHEMBL3276415)
Show SMILES [Br-].CC(C)[n+]1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C16H16N.BrH/c1-12(2)17-11-13-7-3-4-8-14(13)15-9-5-6-10-16(15)17;/h3-12H,1-2H3;1H/q+1;/p-1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible mixed-type inhibition of electric eel acetylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor comp...


J Med Chem 20: 1617-23 (1978)


Article DOI: 10.1021/jm00222a016
BindingDB Entry DOI: 10.7270/Q29025BQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50016864
PNG
(CHEMBL3276415)
Show SMILES [Br-].CC(C)[n+]1cc2ccccc2c2ccccc12
Show InChI InChI=1S/C16H16N.BrH/c1-12(2)17-11-13-7-3-4-8-14(13)15-9-5-6-10-16(15)17;/h3-12H,1-2H3;1H/q+1;/p-1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.70E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible mixed-type inhibition of electric eel acetylcholinesterase using acetylcholine bromide as substrate by Lineweaver-Burk plot analysis


J Med Chem 20: 1617-23 (1978)


Article DOI: 10.1021/jm00222a016
BindingDB Entry DOI: 10.7270/Q29025BQ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50339945
PNG
(1,1'-but-1,4-diyl-bis(quinolinium)dibromide | CHEM...)
Show SMILES C(CC[n+]1cccc2ccccc12)C[n+]1cccc2ccccc12
Show InChI InChI=1S/C22H22N2/c1-3-13-21-19(9-1)11-7-17-23(21)15-5-6-16-24-18-8-12-20-10-2-4-14-22(20)24/h1-4,7-14,17-18H,5-6,15-16H2/q+2
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20E+4n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE by modified Ellman's method


Bioorg Med Chem Lett 21: 2505-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.047
BindingDB Entry DOI: 10.7270/Q2JW8F6N
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50339944
PNG
(1,1'-prop-1,3-diyl-bis(quinolinium)dibromide | CHE...)
Show SMILES C(C[n+]1cccc2ccccc12)C[n+]1cccc2ccccc12
Show InChI InChI=1S/C21H20N2/c1-3-12-20-18(8-1)10-5-14-22(20)16-7-17-23-15-6-11-19-9-2-4-13-21(19)23/h1-6,8-15H,7,16-17H2/q+2
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE by modified Ellman's method


Bioorg Med Chem Lett 21: 2505-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.047
BindingDB Entry DOI: 10.7270/Q2JW8F6N
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50339946
PNG
(1,1'-pent-1,5-diyl-bis(quinolinium)dibromide | CHE...)
Show SMILES C(CC[n+]1cccc2ccccc12)CC[n+]1cccc2ccccc12
Show InChI InChI=1S/C23H24N2/c1(6-16-24-18-8-12-20-10-2-4-14-22(20)24)7-17-25-19-9-13-21-11-3-5-15-23(21)25/h2-5,8-15,18-19H,1,6-7,16-17H2/q+2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte recombinant AChE by modified Ellman's method


Bioorg Med Chem Lett 21: 2505-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.047
BindingDB Entry DOI: 10.7270/Q2JW8F6N
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50339945
PNG
(1,1'-but-1,4-diyl-bis(quinolinium)dibromide | CHEM...)
Show SMILES C(CC[n+]1cccc2ccccc12)C[n+]1cccc2ccccc12
Show InChI InChI=1S/C22H22N2/c1-3-13-21-19(9-1)11-7-17-23(21)15-5-6-16-24-18-8-12-20-10-2-4-14-22(20)24/h1-4,7-14,17-18H,5-6,15-16H2/q+2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.80E+4n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte recombinant AChE by modified Ellman's method


Bioorg Med Chem Lett 21: 2505-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.047
BindingDB Entry DOI: 10.7270/Q2JW8F6N
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50339944
PNG
(1,1'-prop-1,3-diyl-bis(quinolinium)dibromide | CHE...)
Show SMILES C(C[n+]1cccc2ccccc12)C[n+]1cccc2ccccc12
Show InChI InChI=1S/C21H20N2/c1-3-12-20-18(8-1)10-5-14-22(20)16-7-17-23-15-6-11-19-9-2-4-13-21(19)23/h1-6,8-15H,7,16-17H2/q+2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte recombinant AChE by modified Ellman's method


Bioorg Med Chem Lett 21: 2505-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.047
BindingDB Entry DOI: 10.7270/Q2JW8F6N
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50297260
PNG
(1,3-Bis-(indol-1-yl)-propane | CHEMBL557456)
Show SMILES C(Cn1ccc2ccccc12)Cn1ccc2ccccc12
Show InChI InChI=1S/C19H18N2/c1-3-8-18-16(6-1)10-14-20(18)12-5-13-21-15-11-17-7-2-4-9-19(17)21/h1-4,6-11,14-15H,5,12-13H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.80E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK4/ Cyclin D1 catalytic subunit expressed in Sf9 insect cells assessed as GST-RB152 fusion protein phosphorylation-associated d...


Bioorg Med Chem 17: 6073-84 (2009)


Article DOI: 10.1016/j.bmc.2009.06.070
BindingDB Entry DOI: 10.7270/Q27P8ZDP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50297260
PNG
(1,3-Bis-(indol-1-yl)-propane | CHEMBL557456)
Show SMILES C(Cn1ccc2ccccc12)Cn1ccc2ccccc12
Show InChI InChI=1S/C19H18N2/c1-3-8-18-16(6-1)10-14-20(18)12-5-13-21-15-11-17-7-2-4-9-19(17)21/h1-4,6-11,14-15H,5,12-13H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.07E+6n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/ Cyclin A catalytic subunit expressed in Sf9 insect cells assessed as histone H1 phosphorylation-associated depletion in ATP...


Bioorg Med Chem 17: 6073-84 (2009)


Article DOI: 10.1016/j.bmc.2009.06.070
BindingDB Entry DOI: 10.7270/Q27P8ZDP
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM59061
PNG
(10-propylacridin-10-ium;iodide | MLS001174468 | SM...)
Show SMILES CCC[n+]1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C16H16N/c1-2-11-17-15-9-5-3-7-13(15)12-14-8-4-6-10-16(14)17/h3-10,12H,2,11H2,1H3/q+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.38E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM59060
PNG
(10-butylacridin-10-ium;iodide | MLS001174469 | SMR...)
Show SMILES CCCC[n+]1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C17H18N/c1-2-3-12-18-16-10-6-4-8-14(16)13-15-9-5-7-11-17(15)18/h4-11,13H,2-3,12H2,1H3/q+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.39E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50339946
PNG
(1,1'-pent-1,5-diyl-bis(quinolinium)dibromide | CHE...)
Show SMILES C(CC[n+]1cccc2ccccc12)CC[n+]1cccc2ccccc12
Show InChI InChI=1S/C23H24N2/c1(6-16-24-18-8-12-20-10-2-4-14-22(20)24)7-17-25-19-9-13-21-11-3-5-15-23(21)25/h2-5,8-15,18-19H,1,6-7,16-17H2/q+2
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.40E+4n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE by modified Ellman's method


Bioorg Med Chem Lett 21: 2505-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.047
BindingDB Entry DOI: 10.7270/Q2JW8F6N
More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens (Human))
BDBM53974
PNG
(4-decylbenzo[f]quinolin-4-ium;iodide | MLS00070936...)
Show SMILES CCCCCCCCCC[n+]1cccc2c1ccc1ccccc21
Show InChI InChI=1S/C23H30N/c1-2-3-4-5-6-7-8-11-18-24-19-12-15-22-21-14-10-9-13-20(21)16-17-23(22)24/h9-10,12-17,19H,2-8,11,18H2,1H3/q+1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M90723
More data for this
Ligand-Target Pair
Zinc aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM53974
PNG
(4-decylbenzo[f]quinolin-4-ium;iodide | MLS00070936...)
Show SMILES CCCCCCCCCC[n+]1cccc2c1ccc1ccccc21
Show InChI InChI=1S/C23H30N/c1-2-3-4-5-6-7-8-11-18-24-19-12-15-22-21-14-10-9-13-20(21)16-17-23(22)24/h9-10,12-17,19H,2-8,11,18H2,1H3/q+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.96E+4n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair