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BDBM50493151 CHEMBL2419139

SMILES: CCn1c(\N=C\c2ccc(Br)cc2)c(sc1=S)C#N

InChI Key: InChIKey=RODQBNNOMJMBCS-LZYBPNLTSA-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 = 50493151   
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))
BDBM50493151
PNG
(CHEMBL2419139)
Show SMILES CCn1c(\N=C\c2ccc(Br)cc2)c(sc1=S)C#N
Show InChI InChI=1S/C13H10BrN3S2/c1-2-17-12(11(7-15)19-13(17)18)16-8-9-3-5-10(14)6-4-9/h3-6,8H,2H2,1H3/b16-8+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
0.000740n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A1 receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting


Bioorg Med Chem 21: 6077-83 (2013)


BindingDB Entry DOI: 10.7270/Q2CC13NZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50493151
PNG
(CHEMBL2419139)
Show SMILES CCn1c(\N=C\c2ccc(Br)cc2)c(sc1=S)C#N
Show InChI InChI=1S/C13H10BrN3S2/c1-2-17-12(11(7-15)19-13(17)18)16-8-9-3-5-10(14)6-4-9/h3-6,8H,2H2,1H3/b16-8+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
0.0100n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting


Bioorg Med Chem 21: 6077-83 (2013)


BindingDB Entry DOI: 10.7270/Q2CC13NZ
More data for this
Ligand-Target Pair