BDBM50084445 2-(5-Chloro-7-cycloheptylamino-imidazo[4,5-b]pyridin-3-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::CHEMBL312981

SMILES: OC[C@H]1O[C@H]([C@@H](O)C1O)n1cnc2c(NC3CCCCCC3)cc(Cl)nc12

InChI Key: InChIKey=OMLNYKJQFLJMTQ-CRTQUJCASA-N

Data: 2 KI  1 EC50

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 = 50084445   

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))	BDBM50084445 (2-(5-Chloro-7-cycloheptylamino-imidazo[4,5-b]pyrid...) Show SMILES OC[C@H]1O[C@H]([C@@H](O)C1O)n1cnc2c(NC3CCCCCC3)cc(Cl)nc12 Show InChI InChI=1S/C18H25ClN4O4/c19-13-7-11(21-10-5-3-1-2-4-6-10)14-17(22-13)23(9-20-14)18-16(26)15(25)12(8-24)27-18/h7,9-10,12,15-16,18,24-26H,1-6,8H2,(H,21,22)/t12-,15?,16+,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	247	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor was assayed by displacement of [3H]DPCPX from rat cortical membranes.				J Med Chem 43: 250-60 (2000) BindingDB Entry DOI: 10.7270/Q2930TW1
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50084445 (2-(5-Chloro-7-cycloheptylamino-imidazo[4,5-b]pyrid...) Show SMILES OC[C@H]1O[C@H]([C@@H](O)C1O)n1cnc2c(NC3CCCCCC3)cc(Cl)nc12 Show InChI InChI=1S/C18H25ClN4O4/c19-13-7-11(21-10-5-3-1-2-4-6-10)14-17(22-13)23(9-20-14)18-16(26)15(25)12(8-24)27-18/h7,9-10,12,15-16,18,24-26H,1-6,8H2,(H,21,22)/t12-,15?,16+,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity for adenosine A2A receptor was determined by displacement of [3H]-DPCPX from rat striatal membranes.				J Med Chem 43: 250-60 (2000) BindingDB Entry DOI: 10.7270/Q2930TW1
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50084445 (2-(5-Chloro-7-cycloheptylamino-imidazo[4,5-b]pyrid...) Show SMILES OC[C@H]1O[C@H]([C@@H](O)C1O)n1cnc2c(NC3CCCCCC3)cc(Cl)nc12 Show InChI InChI=1S/C18H25ClN4O4/c19-13-7-11(21-10-5-3-1-2-4-6-10)14-17(22-13)23(9-20-14)18-16(26)15(25)12(8-24)27-18/h7,9-10,12,15-16,18,24-26H,1-6,8H2,(H,21,22)/t12-,15?,16+,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	6.58E+3	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Stimulation of [35S]GTP-gamma-S, binding to rat brain membranes by adenosine A1 receptor activation				J Med Chem 43: 250-60 (2000) BindingDB Entry DOI: 10.7270/Q2930TW1
					More data for this Ligand-Target Pair