BDBM50258891 CHEMBL4067466

SMILES: CC(=O)Nc1cc(cc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1

InChI Key: InChIKey=KROOMUDDAFBWIK-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50258891   

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 A3 (Homo sapiens (Human))	BDBM50258891 (CHEMBL4067466) Show SMILES CC(=O)Nc1cc(cc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H16N2O5/c1-12(24)22-21-9-15(13-2-4-17-19(7-13)27-10-25-17)6-16(23-21)14-3-5-18-20(8-14)28-11-26-18/h2-9H,10-11H2,1H3,(H,22,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cell membranes after 180 mins				J Med Chem 60: 7502-7511 (2017) Article DOI: 10.1021/acs.jmedchem.7b00860 BindingDB Entry DOI: 10.7270/Q2ST7S8S
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50258891 (CHEMBL4067466) Show SMILES CC(=O)Nc1cc(cc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H16N2O5/c1-12(24)22-21-9-15(13-2-4-17-19(7-13)27-10-25-17)6-16(23-21)14-3-5-18-20(8-14)28-11-26-18/h2-9H,10-11H2,1H3,(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 60 mins				J Med Chem 60: 7502-7511 (2017) Article DOI: 10.1021/acs.jmedchem.7b00860 BindingDB Entry DOI: 10.7270/Q2ST7S8S
					More data for this Ligand-Target Pair