BDBM50368914 CHEMBL608657

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

InChI Key: InChIKey=QXCRTFQQXBWPNI-BORQHUKESA-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 = 50368914   

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))	BDBM50368914 (CHEMBL608657) Show SMILES CCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(N)=O)c2c(=O)n(CCCC)c1=O |r| Show InChI InChI=1S/C18H27N5O6/c1-3-5-7-21-15-10(16(27)22(18(21)28)8-6-4-2)23(9-20-15)17-12(25)11(24)13(29-17)14(19)26/h9,11-13,17,24-25H,3-8H2,1-2H3,(H2,19,26)/t11-,12+,13-,17?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.06E+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 receptor A2a and A3 (Rattus norvegicus)	BDBM50368914 (CHEMBL608657) Show SMILES CCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(N)=O)c2c(=O)n(CCCC)c1=O |r| Show InChI InChI=1S/C18H27N5O6/c1-3-5-7-21-15-10(16(27)22(18(21)28)8-6-4-2)23(9-20-15)17-12(25)11(24)13(29-17)14(19)26/h9,11-13,17,24-25H,3-8H2,1-2H3,(H2,19,26)/t11-,12+,13-,17?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.53E+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
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50368914 (CHEMBL608657) Show SMILES CCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(N)=O)c2c(=O)n(CCCC)c1=O |r| Show InChI InChI=1S/C18H27N5O6/c1-3-5-7-21-15-10(16(27)22(18(21)28)8-6-4-2)23(9-20-15)17-12(25)11(24)13(29-17)14(19)26/h9,11-13,17,24-25H,3-8H2,1-2H3,(H2,19,26)/t11-,12+,13-,17?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.49E+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