BDBM50451984 CHEMBL609820

SMILES: COc1ccc2nc(SC[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(NC5CCCC5)ncnc34)sc2c1

InChI Key: InChIKey=MELCKADWXXEMCY-CRWZYULMSA-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 = 50451984   

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 (GUINEA PIG)	BDBM50451984 (CHEMBL609820) Show SMILES COc1ccc2nc(SC[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(NC5CCCC5)ncnc34)sc2c1 |r| Show InChI InChI=1S/C23H26N6O4S2/c1-32-13-6-7-14-16(8-13)35-23(28-14)34-9-15-18(30)19(31)22(33-15)29-11-26-17-20(24-10-25-21(17)29)27-12-4-2-3-5-12/h6-8,10-12,15,18-19,22,30-31H,2-5,9H2,1H3,(H,24,25,27)/t15-,18-,19-,22?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 1666+/-556				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
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