BDBM50306775 1,4-diamino-N-butyl-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide::CHEMBL601628

SMILES: CCCCNC(=O)c1cc(N)c2C(=O)c3ccccc3C(=O)c2c1N

InChI Key: InChIKey=VCZXXRSDLZIADZ-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 = 50306775   

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 A2a (Homo sapiens (Human))	BDBM50306775 (1,4-diamino-N-butyl-9,10-dioxo-9,10-dihydroanthrac...) Show SMILES CCCCNC(=O)c1cc(N)c2C(=O)c3ccccc3C(=O)c2c1N Show InChI InChI=1S/C19H19N3O3/c1-2-3-8-22-19(25)12-9-13(20)14-15(16(12)21)18(24)11-7-5-4-6-10(11)17(14)23/h4-7,9H,2-3,8,20-21H2,1H3,(H,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human adenosine 2A receptor				J Med Chem 53: 1799-809 (2010) Article DOI: 10.1021/jm901647p BindingDB Entry DOI: 10.7270/Q20P1037
					More data for this Ligand-Target Pair