BDBM50452202 CHEMBL2113424

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCCC3)ncnc12

InChI Key: InChIKey=TUBLKCBQFVQEOG-SCFUHWHPSA-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 = 50452202   

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))	BDBM50452202 (CHEMBL2113424) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCCC3)ncnc12 |r| Show InChI InChI=1S/C18H27N5O4/c24-8-12-14(25)15(26)18(27-12)23-10-21-13-16(19-9-20-17(13)23)22-11-6-4-2-1-3-5-7-11/h9-12,14-15,18,24-26H,1-8H2,(H,19,20,22)/t12-,14-,15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CHA from adenosine A1 receptor of rat whole brain				J Med Chem 28: 1383-4 (1985) BindingDB Entry DOI: 10.7270/Q2GH9JHW
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50452202 (CHEMBL2113424) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCCC3)ncnc12 |r| Show InChI InChI=1S/C18H27N5O4/c24-8-12-14(25)15(26)18(27-12)23-10-21-13-16(19-9-20-17(13)23)22-11-6-4-2-1-3-5-7-11/h9-12,14-15,18,24-26H,1-8H2,(H,19,20,22)/t12-,14-,15-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from adenosine A2 receptor of rat striatal membrane				J Med Chem 28: 1383-4 (1985) BindingDB Entry DOI: 10.7270/Q2GH9JHW
					More data for this Ligand-Target Pair