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SMILES: Nc1sc2CN(CCOc3ccc(cc3)[N+]([O-])=O)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=UGHAASOWTMWNED-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50315865   
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))		BDBM50315865
PNG
(2-Amino-6-[2-(4-nitrophenoxy)-ethyl]-4,5,6,7-tetra...)
Show SMILES Nc1sc2CN(CCOc3ccc(cc3)[N+]([O-])=O)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H19Cl2N3O4S/c23-17-6-1-13(11-18(17)24)21(28)20-16-7-8-26(12-19(16)32-22(20)25)9-10-31-15-4-2-14(3-5-15)27(29)30/h1-6,11H,7-10,12,25H2
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Similars
Article
PubMed
n/an/an/an/a 8.50E+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