BDBM50451982 CHEMBL2092779

SMILES: O[C@@H]1[C@@H](CSc2ccc(F)cc2F)O[C@H]([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12

InChI Key: InChIKey=GJLUJCRJDFVKER-OFGIKRIPSA-N

Data: 2 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 2 hits for monomerid = 50451982   

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)	BDBM50451982 (CHEMBL2092779) Show SMILES O[C@@H]1[C@@H](CSc2ccc(F)cc2F)O[C@H]([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r| Show InChI InChI=1S/C20H21F2N5O4S/c21-10-1-2-14(12(22)5-10)32-7-13-16(28)17(29)20(31-13)27-9-25-15-18(23-8-24-19(15)27)26-11-3-4-30-6-11/h1-2,5,8-9,11,13,16-17,20,28-29H,3-4,6-7H2,(H,23,24,26)/t11?,13-,16-,17-,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	494	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Agonistic activity against adenosine A1 receptor in guinea pig isolated hearts				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine A1 receptor (GUINEA PIG)	BDBM50451982 (CHEMBL2092779) Show SMILES O[C@@H]1[C@@H](CSc2ccc(F)cc2F)O[C@H]([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r| Show InChI InChI=1S/C20H21F2N5O4S/c21-10-1-2-14(12(22)5-10)32-7-13-16(28)17(29)20(31-13)27-9-25-15-18(23-8-24-19(15)27)26-11-3-4-30-6-11/h1-2,5,8-9,11,13,16-17,20,28-29H,3-4,6-7H2,(H,23,24,26)/t11?,13-,16-,17-,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.50E+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; 5497+/-180				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair