BDBM50370447 CHEMBL609341

SMILES: CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3ccc(Cl)cc3Cl)ncnc12

InChI Key: InChIKey=CHYFGFQESCBVCA-IAYSQTMDSA-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 = 50370447   

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 (Rattus norvegicus (rat))	BDBM50370447 (CHEMBL609341) Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3ccc(Cl)cc3Cl)ncnc12 |r| Show InChI InChI=1S/C19H18Cl2N6O5/c1-2-22-18(31)14-12(28)13(29)19(32-14)27-7-25-11-15(23-6-24-16(11)27)26-17(30)9-4-3-8(20)5-10(9)21/h3-7,12-14,19,28-29H,2H2,1H3,(H,22,31)(H,23,24,26,30)/t12-,13+,14-,19?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Sugar Cane Station Curated by ChEMBL					Assay Description Inhibition of [3H]R-PIA binding to Adenosine A1 receptor from rat brain membrane				Bioorg Med Chem Lett 15: 2641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.028 BindingDB Entry DOI: 10.7270/Q2Z60PTD
					More data for this Ligand-Target Pair