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BDBM50266085 (4-(furan-2-yl)-2-(methyl(2-(thiophen-2-yl)ethyl)amino)thiazol-5-yl)(phenyl)methanone::CHEMBL456257

SMILES: CN(CCc1cccs1)c1nc(-c2ccco2)c(s1)C(=O)c1ccccc1

InChI Key: InChIKey=YNKWDHWPAYXFLC-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 = 50266085   
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 A2a


(Homo sapiens (Human))
BDBM50266085
PNG
((4-(furan-2-yl)-2-(methyl(2-(thiophen-2-yl)ethyl)a...)
Show SMILES CN(CCc1cccs1)c1nc(-c2ccco2)c(s1)C(=O)c1ccccc1
Show InChI InChI=1S/C21H18N2O2S2/c1-23(12-11-16-9-6-14-26-16)21-22-18(17-10-5-13-25-17)20(27-21)19(24)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
8.17E+3n/an/an/an/an/an/an/an/a



Pharmacopeia Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 378-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.066
BindingDB Entry DOI: 10.7270/Q2348K6P
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50266085
PNG
((4-(furan-2-yl)-2-(methyl(2-(thiophen-2-yl)ethyl)a...)
Show SMILES CN(CCc1cccs1)c1nc(-c2ccco2)c(s1)C(=O)c1ccccc1
Show InChI InChI=1S/C21H18N2O2S2/c1-23(12-11-16-9-6-14-26-16)21-22-18(17-10-5-13-25-17)20(27-21)19(24)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Pharmacopeia Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 19: 378-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.066
BindingDB Entry DOI: 10.7270/Q2348K6P
More data for this
Ligand-Target Pair