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3 similar compounds to monomer 50173125

Compile data set for download or QSAR
Wt: 384.4
BDBM50156802
Wt: 529.9
BDBM50173114
Wt: 425.5
BDBM50173117

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50156802,50173114,50173117   
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))
BDBM50156802
PNG
(CHEMBL3794260)
Show SMILES COc1cc(\C=C\C(=O)NCCCN(C)Cc2ccccc2OC)ccc1O
Show InChI InChI=1S/C22H28N2O4/c1-24(16-18-7-4-5-8-20(18)27-2)14-6-13-23-22(26)12-10-17-9-11-19(25)21(15-17)28-3/h4-5,7-12,15,25H,6,13-14,16H2,1-3H3,(H,23,26)/b12-10+
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n/an/a 2.51E+4n/an/an/an/an/an/a



Nanyang Normal University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE pre-incubated for 15 mins before acetylthiocholine chloride substrate addition by Ellman assay


Bioorg Med Chem Lett 26: 2539-43 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.086
BindingDB Entry DOI: 10.7270/Q2QN68P7
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50173114
PNG
(CHEMBL3810005)
Show SMILES CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1cc(Cl)ccc1OCC(F)(F)F
Show InChI InChI=1S/C25H31ClF3N3O4/c1-16(31-6-10-35-22-14-19(26)3-4-21(22)36-15-25(27,28)29)11-17-12-18-5-8-32(7-2-9-33)23(18)20(13-17)24(30)34/h3-4,12-14,16,31,33H,2,5-11,15H2,1H3,(H2,30,34)
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n/an/a 1.21E+3n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1B adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02023
BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50173117
PNG
(CHEMBL3809319)
Show SMILES COc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
Show InChI InChI=1S/C24H31N3O4/c1-17(26-9-13-31-22-7-4-3-6-21(22)30-2)14-18-15-19-8-11-27(10-5-12-28)23(19)20(16-18)24(25)29/h3-4,6-8,11,15-17,26,28H,5,9-10,12-14H2,1-2H3,(H2,25,29)
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n/an/a 4.40n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02023
BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50173117
PNG
(CHEMBL3809319)
Show SMILES COc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
Show InChI InChI=1S/C24H31N3O4/c1-17(26-9-13-31-22-7-4-3-6-21(22)30-2)14-18-15-19-8-11-27(10-5-12-28)23(19)20(16-18)24(25)29/h3-4,6-8,11,15-17,26,28H,5,9-10,12-14H2,1-2H3,(H2,25,29)
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n/an/a 0.400n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1D adrenergic receptor (unknown origin) transfected in HEK293 cells assessed as reduction in agonist-induced calcium mob...


J Med Chem 59: 3826-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02023
BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50173117
PNG
(CHEMBL3809319)
Show SMILES COc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
Show InChI InChI=1S/C24H31N3O4/c1-17(26-9-13-31-22-7-4-3-6-21(22)30-2)14-18-15-19-8-11-27(10-5-12-28)23(19)20(16-18)24(25)29/h3-4,6-8,11,15-17,26,28H,5,9-10,12-14H2,1-2H3,(H2,25,29)
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n/an/a 263n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1B adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02023
BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50173114
PNG
(CHEMBL3810005)
Show SMILES CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1cc(Cl)ccc1OCC(F)(F)F
Show InChI InChI=1S/C25H31ClF3N3O4/c1-16(31-6-10-35-22-14-19(26)3-4-21(22)36-15-25(27,28)29)11-17-12-18-5-8-32(7-2-9-33)23(18)20(13-17)24(30)34/h3-4,12-14,16,31,33H,2,5-11,15H2,1H3,(H2,30,34)
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n/an/a 3.20n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02023
BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50173114
PNG
(CHEMBL3810005)
Show SMILES CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1cc(Cl)ccc1OCC(F)(F)F
Show InChI InChI=1S/C25H31ClF3N3O4/c1-16(31-6-10-35-22-14-19(26)3-4-21(22)36-15-25(27,28)29)11-17-12-18-5-8-32(7-2-9-33)23(18)20(13-17)24(30)34/h3-4,12-14,16,31,33H,2,5-11,15H2,1H3,(H2,30,34)
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n/an/a 410n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1D adrenergic receptor (unknown origin) transfected in HEK293 cells assessed as reduction in agonist-induced calcium mob...


J Med Chem 59: 3826-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02023
BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair