BDBM50410287 CHEMBL2113640

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

InChI Key: InChIKey=BCBWBWYAEYYGGB-LOSGSANQSA-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 = 50410287   

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 A1 receptor (BOVINE)	BDBM50410287 (CHEMBL2113640) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@]1(C)O)n1cnc2c(NCc3cccc(I)c3)nc(NC)nc12 |r| Show InChI InChI=1S/C20H24IN7O4/c1-20(31)13(29)18(32-14(20)17(30)22-2)28-9-25-12-15(26-19(23-3)27-16(12)28)24-8-10-5-4-6-11(21)7-10/h4-7,9,13-14,18,29,31H,8H2,1-3H3,(H,22,30)(H2,23,24,26,27)/t13-,14+,18+,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX binding to adenosine A1 receptors of bovine cortical membranes				J Med Chem 48: 1550-62 (2005) Article DOI: 10.1021/jm049408n BindingDB Entry DOI: 10.7270/Q25X29PX
					More data for this Ligand-Target Pair