BDBM50041211 CHEMBL3355968

SMILES: CCC(=O)N1Cc2nc(nn2-c2ccccc12)-c1ccccc1

InChI Key: InChIKey=KZQRFVQWXHYLGT-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 = 50041211   

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))	BDBM50041211 (CHEMBL3355968) Show SMILES CCC(=O)N1Cc2nc(nn2-c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C18H16N4O/c1-2-17(23)21-12-16-19-18(13-8-4-3-5-9-13)20-22(16)15-11-7-6-10-14(15)21/h3-11H,2,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 23: 9-21 (2014) Article DOI: 10.1016/j.bmc.2014.11.033 BindingDB Entry DOI: 10.7270/Q24B32XC
					More data for this Ligand-Target Pair