BDBM50368909 CHEMBL607784

SMILES: CCCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC)c2c(=O)n(CCCCC)c1=O

InChI Key: InChIKey=UVSJCAZXTSJNKM-BITNSZHFSA-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 = 50368909   

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 A2a and A3 (Rattus norvegicus)	BDBM50368909 (CHEMBL607784) Show SMILES CCCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC)c2c(=O)n(CCCCC)c1=O |r| Show InChI InChI=1S/C21H33N5O6/c1-4-6-8-10-24-17-13(19(30)25(21(24)31)11-9-7-5-2)26(12-23-17)20-15(28)14(27)16(32-20)18(29)22-3/h12,14-16,20,27-28H,4-11H2,1-3H3,(H,22,29)/t14-,15+,16-,20?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.63E+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 [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
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50368909 (CHEMBL607784) Show SMILES CCCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC)c2c(=O)n(CCCCC)c1=O |r| Show InChI InChI=1S/C21H33N5O6/c1-4-6-8-10-24-17-13(19(30)25(21(24)31)11-9-7-5-2)26(12-23-17)20-15(28)14(27)16(32-20)18(29)22-3/h12,14-16,20,27-28H,4-11H2,1-3H3,(H,22,29)/t14-,15+,16-,20?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.12E+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 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