BDBM50368915 CHEMBL610372

SMILES: CCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)N(C)C)c2c(=O)n(CCCC)c1=O

InChI Key: InChIKey=GQOMSVTXZFYGHP-FRLFKWGPSA-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 = 50368915   

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))	BDBM50368915 (CHEMBL610372) Show SMILES CCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)N(C)C)c2c(=O)n(CCCC)c1=O |r| Show InChI InChI=1S/C20H31N5O6/c1-5-7-9-23-16-12(17(28)24(20(23)30)10-8-6-2)25(11-21-16)19-14(27)13(26)15(31-19)18(29)22(3)4/h11,13-15,19,26-27H,5-10H2,1-4H3/t13-,14+,15-,19?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.10E+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))	BDBM50368915 (CHEMBL610372) Show SMILES CCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)N(C)C)c2c(=O)n(CCCC)c1=O |r| Show InChI InChI=1S/C20H31N5O6/c1-5-7-9-23-16-12(17(28)24(20(23)30)10-8-6-2)25(11-21-16)19-14(27)13(26)15(31-19)18(29)22(3)4/h11,13-15,19,26-27H,5-10H2,1-4H3/t13-,14+,15-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.35E+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 [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)	BDBM50368915 (CHEMBL610372) Show SMILES CCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)N(C)C)c2c(=O)n(CCCC)c1=O |r| Show InChI InChI=1S/C20H31N5O6/c1-5-7-9-23-16-12(17(28)24(20(23)30)10-8-6-2)25(11-21-16)19-14(27)13(26)15(31-19)18(29)22(3)4/h11,13-15,19,26-27H,5-10H2,1-4H3/t13-,14+,15-,19?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.28E+5	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