BDBM50368913 CHEMBL608945

SMILES: CCCCn1c(=O)n(Cc2ccccc2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c1=O

InChI Key: InChIKey=XOWSUZTZJZESHK-FIALEDGQSA-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 = 50368913   

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))	BDBM50368913 (CHEMBL608945) Show SMILES CCCCn1c(=O)n(Cc2ccccc2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c1=O |r| Show InChI InChI=1S/C21H26N4O6/c1-2-3-9-23-19(29)15-18(24(21(23)30)10-13-7-5-4-6-8-13)22-12-25(15)20-17(28)16(27)14(11-26)31-20/h4-8,12,14,16-17,20,26-28H,2-3,9-11H2,1H3/t14-,16-,17-,20?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Tested for the displacement of specific [3H]PIA in rat brain membranes of A1 receptor				J Med Chem 37: 4020-30 (1994) BindingDB Entry DOI: 10.7270/Q2251JTQ
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50368913 (CHEMBL608945) Show SMILES CCCCn1c(=O)n(Cc2ccccc2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c1=O |r| Show InChI InChI=1S/C21H26N4O6/c1-2-3-9-23-19(29)15-18(24(21(23)30)10-13-7-5-4-6-8-13)22-12-25(15)20-17(28)16(27)14(11-26)31-20/h4-8,12,14,16-17,20,26-28H,2-3,9-11H2,1H3/t14-,16-,17-,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of specific [3H]- CGS-21680 in rat striatal membranes A2a receptor				J Med Chem 37: 4020-30 (1994) BindingDB Entry DOI: 10.7270/Q2251JTQ
					More data for this Ligand-Target Pair
Adenosine receptor A2a and A3 (Rattus norvegicus)	BDBM50368913 (CHEMBL608945) Show SMILES CCCCn1c(=O)n(Cc2ccccc2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2c1=O |r| Show InChI InChI=1S/C21H26N4O6/c1-2-3-9-23-19(29)15-18(24(21(23)30)10-13-7-5-4-6-8-13)22-12-25(15)20-17(28)16(27)14(11-26)31-20/h4-8,12,14,16-17,20,26-28H,2-3,9-11H2,1H3/t14-,16-,17-,20?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of specific [125]AB-MECA binding in membranes of CHO cells stably transfected with the rat A3-cDNA				J Med Chem 37: 4020-30 (1994) BindingDB Entry DOI: 10.7270/Q2251JTQ
					More data for this Ligand-Target Pair