BDBM50369509 CHEMBL605885

SMILES: CCNC(=O)C[C@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(NNc3ccc(cc3)S(N)(=O)=O)ncnc12

InChI Key: InChIKey=FJFFAMCWDIHKBJ-HWQOSGRBSA-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 = 50369509   

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))	BDBM50369509 (CHEMBL605885) Show SMILES CCNC(=O)C[C@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(NNc3ccc(cc3)S(N)(=O)=O)ncnc12 |r| Show InChI InChI=1S/C19H24N8O6S/c1-2-21-13(28)7-12-15(29)16(30)19(33-12)27-9-24-14-17(22-8-23-18(14)27)26-25-10-3-5-11(6-4-10)34(20,31)32/h3-6,8-9,12,15-16,19,25,29-30H,2,7H2,1H3,(H,21,28)(H2,20,31,32)(H,22,23,26)/t12-,15+,16+,19?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in HEK 293 cells				J Med Chem 42: 1393-400 (1999) Article DOI: 10.1021/jm981090+ BindingDB Entry DOI: 10.7270/Q2SB46DK
					More data for this Ligand-Target Pair