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SMILES: Nc1sc2CN(CCCOc3ccc(cc3)[N+]([O-])=O)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=MUMHULYEMXDVHD-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50315864   
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))		BDBM50315864
PNG
(2-Amino-6-[3-(4-nitrophenoxy)-propyl]-4,5,6,7-tetr...)
Show SMILES Nc1sc2CN(CCCOc3ccc(cc3)[N+]([O-])=O)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H21Cl2N3O4S/c24-18-7-2-14(12-19(18)25)22(29)21-17-8-10-27(13-20(17)33-23(21)26)9-1-11-32-16-5-3-15(4-6-16)28(30)31/h2-7,12H,1,8-11,13,26H2
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Similars
Article
PubMed
n/an/an/an/a 3.70E+3n/an/an/an/a



Leiden University

Curated by ChEMBL


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

J Med Chem 53: 3028-37 (2010)


Article DOI: 10.1021/jm901252a
BindingDB Entry DOI: 10.7270/Q20K28RD
More data for this
Ligand-Target Pair