BDBM50148602 CHEMBL3770194

SMILES: CNC(=O)[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H]1OC(C)=O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12

InChI Key: InChIKey=HWOQTUCFGYJWSE-KYFSNAEOSA-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 = 50148602   

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))	BDBM50148602 (CHEMBL3770194) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H]1OC(C)=O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C22H22ClIN6O6/c1-10(31)34-15-16(20(33)25-3)36-21(17(15)35-11(2)32)30-9-27-14-18(28-22(23)29-19(14)30)26-8-12-5-4-6-13(24)7-12/h4-7,9,15-17,21H,8H2,1-3H3,(H,25,33)(H,26,28,29)/t15-,16+,17-,21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A3 receptor				J Med Chem 59: 788-809 (2016) BindingDB Entry DOI: 10.7270/Q25M67MM
					More data for this Ligand-Target Pair