BDBM50003695 CHEMBL3234948

SMILES: Nc1nc(SCc2coc(n2)-c2cccc(F)c2)nc(-c2ccc3OCOc3c2)c1C#N

InChI Key: InChIKey=GXMONYINFPHCOF-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 = 50003695   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50003695 (CHEMBL3234948) Show SMILES Nc1nc(SCc2coc(n2)-c2cccc(F)c2)nc(-c2ccc3OCOc3c2)c1C#N Show InChI InChI=1S/C22H14FN5O3S/c23-14-3-1-2-13(6-14)21-26-15(9-29-21)10-32-22-27-19(16(8-24)20(25)28-22)12-4-5-17-18(7-12)31-11-30-17/h1-7,9H,10-11H2,(H2,25,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting analysis				J Med Chem 57: 3213-22 (2014) Article DOI: 10.1021/jm401643m BindingDB Entry DOI: 10.7270/Q27P90X6
					More data for this Ligand-Target Pair