BDBM50410283 CHEMBL2113608

SMILES: CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O

InChI Key: InChIKey=WQOZWPKZSRLJFH-CKFGLLJZSA-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 = 50410283   

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 (BOVINE)	BDBM50410283 (CHEMBL2113608) Show SMILES CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O |r| Show InChI InChI=1S/C19H20ClIN6O4/c1-19(30)13(28)12(16(29)22-2)31-17(19)27-8-24-11-14(25-18(20)26-15(11)27)23-7-9-4-3-5-10(21)6-9/h3-6,8,12-13,17,28,30H,7H2,1-2H3,(H,22,29)(H,23,25,26)/t12-,13+,17+,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	325	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