BDBM50454670 CHEMBL2112633

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@H]1N=[N+]=[N-])n1cnc2c(NC3CCCC3)ncnc12

InChI Key: InChIKey=NIBISTMBSRBOAU-KVQFHVITSA-N

Data: 3 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 3 hits for monomerid = 50454670   

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 Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50454670 (CHEMBL2112633) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1N=[N+]=[N-])n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H20N8O3/c16-22-21-10-9(5-24)26-15(12(10)25)23-7-19-11-13(17-6-18-14(11)23)20-8-3-1-2-4-8/h6-10,12,15,24-25H,1-5H2,(H,17,18,20)/t9-,10+,12-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A2a receptor was determined on rat striatal membrane using [3H]-CGS- 21680 as radioligand				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50454670 (CHEMBL2112633) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1N=[N+]=[N-])n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H20N8O3/c16-22-21-10-9(5-24)26-15(12(10)25)23-7-19-11-13(17-6-18-14(11)23)20-8-3-1-2-4-8/h6-10,12,15,24-25H,1-5H2,(H,17,18,20)/t9-,10+,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the absence of GTP in rat cortical membrane.				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50454670 (CHEMBL2112633) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]1N=[N+]=[N-])n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H20N8O3/c16-22-21-10-9(5-24)26-15(12(10)25)23-7-19-11-13(17-6-18-14(11)23)20-8-3-1-2-4-8/h6-10,12,15,24-25H,1-5H2,(H,17,18,20)/t9-,10+,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ghent Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor was determined, in the presence of GTP in rat brain cortex				J Med Chem 40: 3765-72 (1997) Article DOI: 10.1021/jm970176k BindingDB Entry DOI: 10.7270/Q2RF5VP4
					More data for this Ligand-Target Pair