BindingDB logo
myBDB logout

BDBM50231714 CHEMBL4082701

SMILES: CCCn1c(nc2nc([nH]c2c1=O)C1CCCC1)-c1cccc(c1)C(N)=O

InChI Key: InChIKey=PDAHYEWLXYXHNP-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50231714   
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))		BDBM50231714
PNG
(CHEMBL4082701)
Show SMILES CCCn1c(nc2nc([nH]c2c1=O)C1CCCC1)-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C20H23N5O2/c1-2-10-25-19(14-9-5-8-13(11-14)16(21)26)24-18-15(20(25)27)22-17(23-18)12-6-3-4-7-12/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H2,21,26)(H,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins

Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair