BDBM50231718 CHEMBL4073565

SMILES: CCCn1c(NCc2ccc(C)cc2)nc2nc([nH]c2c1=O)C1CCCC1

InChI Key: InChIKey=IYYNPQXZSSSBKF-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 = 50231718   

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))	BDBM50231718 (CHEMBL4073565) Show SMILES CCCn1c(NCc2ccc(C)cc2)nc2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C21H27N5O/c1-3-12-26-20(27)17-19(24-18(23-17)16-6-4-5-7-16)25-21(26)22-13-15-10-8-14(2)9-11-15/h8-11,16H,3-7,12-13H2,1-2H3,(H,22,25)(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 25: 1963-1975 (2017) BindingDB Entry DOI: 10.7270/Q2KH0QKC
					More data for this Ligand-Target Pair