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BDBM50117142 CHEMBL3613121

SMILES: Nc1nc(SCc2csc(n2)-c2ccc(Cl)cc2)c(C#N)c(-c2ccc3OCOc3c2)c1C#N

InChI Key: InChIKey=QNHKNTPLFYZVAI-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50117142   
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))
BDBM50117142
PNG
(CHEMBL3613121)
Show SMILES Nc1nc(SCc2csc(n2)-c2ccc(Cl)cc2)c(C#N)c(-c2ccc3OCOc3c2)c1C#N
Show InChI InChI=1S/C24H14ClN5O2S2/c25-15-4-1-13(2-5-15)23-29-16(10-33-23)11-34-24-18(9-27)21(17(8-26)22(28)30-24)14-3-6-19-20(7-14)32-12-31-19/h1-7,10H,11-12H2,(H2,28,30)
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
4.60n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes by competition association assay


Eur J Med Chem 101: 681-91 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.023
BindingDB Entry DOI: 10.7270/Q2FX7C8R
More data for this
Ligand-Target Pair