BDBM50367907 CHEMBL604202

SMILES: Nc1nc(NC2CCCC2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

InChI Key: InChIKey=PYLVODBGSCAFQR-OYBGHCQBSA-N

Data: 2 KI  1 IC50

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 3 hits for monomerid = 50367907   

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))	BDBM50367907 (CHEMBL604202) Show SMILES Nc1nc(NC2CCCC2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C15H22N6O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H3,16,18,19,20)/t8-,10-,11-,14?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]-CHA or [3H]PIA as radioligand				J Med Chem 35: 407-22 (1992) BindingDB Entry DOI: 10.7270/Q2Z89D1W
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50367907 (CHEMBL604202) Show SMILES Nc1nc(NC2CCCC2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C15H22N6O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H3,16,18,19,20)/t8-,10-,11-,14?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of binding of [3H]N6-cyclohexyladenosine to adenosine A1 receptor of rat whole brain membranes.				J Med Chem 32: 1667-73 (1989) Checked by Author BindingDB Entry DOI: 10.7270/Q2BR8SS5
					More data for this Ligand-Target Pair
Phosphoglycerate kinase 1 (Homo sapiens (Human))	BDBM50367907 (CHEMBL604202) Show SMILES Nc1nc(NC2CCCC2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C15H22N6O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H3,16,18,19,20)/t8-,10-,11-,14?/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description evaluated for the inhibition of Trypanosoma brucei Phosphoglycerate kinase (PGK)				J Med Chem 43: 4135-50 (2000) Article DOI: 10.1021/jm000287a BindingDB Entry DOI: 10.7270/Q2TB19N4
					More data for this Ligand-Target Pair