BDBM50003711 CHEMBL3233035

SMILES: Nc1nc(SCc2c[nH]cn2)nc(-c2ccc3OCOc3c2)c1C#N

InChI Key: InChIKey=DLNGSUIVMBTHRC-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 = 50003711   

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))	BDBM50003711 (CHEMBL3233035) Show SMILES Nc1nc(SCc2c[nH]cn2)nc(-c2ccc3OCOc3c2)c1C#N Show InChI InChI=1S/C16H12N6O2S/c17-4-11-14(9-1-2-12-13(3-9)24-8-23-12)21-16(22-15(11)18)25-6-10-5-19-7-20-10/h1-3,5,7H,6,8H2,(H,19,20)(H2,18,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	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