BDBM50421977 CHEMBL609231

SMILES: CCCN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

InChI Key: InChIKey=IRTSNXOGLJACAX-PUXKXDTASA-N

Data: 2 EC50

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 = 50421977   

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 A2 receptor (Homo sapiens (Human))	BDBM50421977 (CHEMBL609231) Show SMILES CCCN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:3.2| Show InChI InChI=1S/C13H19N7O4/c1-2-3-16-19-13-17-10(14)7-11(18-13)20(5-15-7)12-9(23)8(22)6(4-21)24-12/h5-6,8-9,12,21-23H,2-4H2,1H3,(H2,14,17,18)/t6-,8-,9-,12?/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description In vitro effect on coronary vasodilation in guinea pig heart.				J Med Chem 35: 4557-61 (1993) BindingDB Entry DOI: 10.7270/Q21Z43BT
					More data for this Ligand-Target Pair
Adenosine A1 receptor (GUINEA PIG)	BDBM50421977 (CHEMBL609231) Show SMILES CCCN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:3.2| Show InChI InChI=1S/C13H19N7O4/c1-2-3-16-19-13-17-10(14)7-11(18-13)20(5-15-7)12-9(23)8(22)6(4-21)24-12/h5-6,8-9,12,21-23H,2-4H2,1H3,(H2,14,17,18)/t6-,8-,9-,12?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description In vitro prolonging of the stimulus-QRS interval in guinea pig heart.				J Med Chem 35: 4557-61 (1993) BindingDB Entry DOI: 10.7270/Q21Z43BT
					More data for this Ligand-Target Pair