BDBM97470 US8470800, G

SMILES: O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COS(=O)(=O)O[Na])n1cnc2c(NC3CCCCC3)nc(Cl)nc12

InChI Key: InChIKey=XAPZDPQLAKDNLK-DNBRLMRSSA-M

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 = 97470   

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))	BDBM97470 (US8470800, G) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COS(=O)(=O)O[Na])n1cnc2c(NC3CCCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C16H22ClN5O7S.Na/c17-16-20-13(19-8-4-2-1-3-5-8)10-14(21-16)22(7-18-10)15-12(24)11(23)9(29-15)6-28-30(25,26)27;/h7-9,11-12,15,23-24H,1-6H2,(H,19,20,21)(H,25,26,27);/q;+1/p-1/t9-,11-,12-,15-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.36	-11.2	n/a	n/a	n/a	n/a	n/a	7.4	4
Inotek Pharmaceuticals Corporation US Patent					Assay Description Radioligand binding assay using adenosine receptor.				US Patent US8470800 (2013) BindingDB Entry DOI: 10.7270/Q2SQ8Z0M
					More data for this Ligand-Target Pair