BindingDB logo
myBDB logout

4 similar compounds to monomer 50210813

Compile data set for download or QSAR
Wt: 311.7
BDBM50210819
Wt: 413.5
BDBM50210830
Wt: 468.5
BDBM50210837
Wt: 289.3
BDBM50210851

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50210819,50210830,50210837,50210851   
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
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50210819
PNG
(CHEMBL3916959)
Show SMILES COc1ccc(cc1Cl)-c1cnc(N)nc1-c1ccccc1
Show InChI InChI=1S/C17H14ClN3O/c1-22-15-8-7-12(9-14(15)18)13-10-20-17(19)21-16(13)11-5-3-2-4-6-11/h2-10H,1H3,(H2,19,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
30n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50210819
PNG
(CHEMBL3916959)
Show SMILES COc1ccc(cc1Cl)-c1cnc(N)nc1-c1ccccc1
Show InChI InChI=1S/C17H14ClN3O/c1-22-15-8-7-12(9-14(15)18)13-10-20-17(19)21-16(13)11-5-3-2-4-6-11/h2-10H,1H3,(H2,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
251n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membranes after 2 hrs by beta scintillation count...


Eur J Med Chem 125: 586-602 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.081
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50210837
PNG
(CHEMBL3916256)
Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N3CCN(CC3)c3ccc(C)cc3C)C(=O)c2cc1OC
Show InChI InChI=1S/C30H32N2O3/c1-20-5-10-27(21(2)15-20)32-13-11-31(12-14-32)25-8-6-22(7-9-25)16-24-17-23-18-28(34-3)29(35-4)19-26(23)30(24)33/h5-10,15-16,18-19H,11-14,17H2,1-4H3/b24-16+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 112n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of Electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 m...


Eur J Med Chem 125: 736-750 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.057
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50210851
PNG
(CHEMBL3962358)
Show SMILES O=C1CCCc2c1c1ccccc1n2CCc1ccccc1
Show InChI InChI=1S/C20H19NO/c22-19-12-6-11-18-20(19)16-9-4-5-10-17(16)21(18)14-13-15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



University of Bari"A. Moro"

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE pretreated for 20 mins followed by butyrylthiocholine iodide substrate addition measured for 5 mins by Ellman's method


Eur J Med Chem 125: 288-298 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.037
BindingDB Entry DOI: 10.7270/Q2G44S9D
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50210851
PNG
(CHEMBL3962358)
Show SMILES O=C1CCCc2c1c1ccccc1n2CCc1ccccc1
Show InChI InChI=1S/C20H19NO/c22-19-12-6-11-18-20(19)16-9-4-5-10-17(16)21(18)14-13-15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



University of Bari"A. Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE pretreated for 20 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's method


Eur J Med Chem 125: 288-298 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.037
BindingDB Entry DOI: 10.7270/Q2G44S9D
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50210830
PNG
(CHEMBL3907757)
Show SMILES O=C1N(CCCCN2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C22H27N3O3S/c26-22-20-10-4-5-11-21(20)29(27,28)25(22)13-7-6-12-23-14-16-24(17-15-23)18-19-8-2-1-3-9-19/h1-5,8-11H,6-7,12-18H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.01E+3n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of Electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...


Eur J Med Chem 125: 676-695 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.078
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50210837
PNG
(CHEMBL3916256)
Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N3CCN(CC3)c3ccc(C)cc3C)C(=O)c2cc1OC
Show InChI InChI=1S/C30H32N2O3/c1-20-5-10-27(21(2)15-20)32-13-11-31(12-14-32)25-8-6-22(7-9-25)16-24-17-23-18-28(34-3)29(35-4)19-26(23)30(24)33/h5-10,15-16,18-19H,11-14,17H2,1-4H3/b24-16+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.13E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2...


Eur J Med Chem 125: 736-750 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.057
More data for this
Ligand-Target Pair