new BindingDB logo
myBDB logout

BDBM50324991 2-(3,4-Dimethoxy-phenyl)-N-[5-(2-ethyl-2H-tetrazol-5-yl)-4-phenyl-thiazol-2-yl]-acetamide::CHEMBL1222587

SMILES: CCn1nnc(n1)-c1sc(NC(=O)Cc2ccc(OC)c(OC)c2)nc1-c1ccccc1

InChI Key: InChIKey=SZZOCASQZRDVMZ-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50324991   
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 A2


(Homo sapiens (Human))
BDBM50324991
PNG
(2-(3,4-Dimethoxy-phenyl)-N-[5-(2-ethyl-2H-tetrazol...)
Show SMILES CCn1nnc(n1)-c1sc(NC(=O)Cc2ccc(OC)c(OC)c2)nc1-c1ccccc1
Show InChI InChI=1S/C22H22N6O3S/c1-4-28-26-21(25-27-28)20-19(15-8-6-5-7-9-15)24-22(32-20)23-18(29)13-14-10-11-16(30-2)17(12-14)31-3/h5-12H,4,13H2,1-3H3,(H,23,24,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
45n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50324991
PNG
(2-(3,4-Dimethoxy-phenyl)-N-[5-(2-ethyl-2H-tetrazol...)
Show SMILES CCn1nnc(n1)-c1sc(NC(=O)Cc2ccc(OC)c(OC)c2)nc1-c1ccccc1
Show InChI InChI=1S/C22H22N6O3S/c1-4-28-26-21(25-27-28)20-19(15-8-6-5-7-9-15)24-22(32-20)23-18(29)13-14-10-11-16(30-2)17(12-14)31-3/h5-12H,4,13H2,1-3H3,(H,23,24,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.60E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 5241-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.138
BindingDB Entry DOI: 10.7270/Q2BP02Z0
More data for this
Ligand-Target Pair