BDBM50369928 CHEMBL608003

SMILES: COc1ccc(CNC(=O)[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1OC

InChI Key: InChIKey=LQAZHNHWXDUXTM-FRLFKWGPSA-N

Data: 1 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 1 hit for monomerid = 50369928   

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
G protein-coupled receptor 80 (Rattus norvegicus)	BDBM50369928 (CHEMBL608003) Show SMILES COc1ccc(CNC(=O)[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1OC |r| Show InChI InChI=1S/C19H22N6O6/c1-29-10-4-3-9(5-11(10)30-2)6-21-18(28)15-13(26)14(27)19(31-15)25-8-24-12-16(20)22-7-23-17(12)25/h3-5,7-8,13-15,19,26-27H,6H2,1-2H3,(H,21,28)(H2,20,22,23)/t13-,14+,15-,19?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranes				J Med Chem 44: 208-14 (2001) BindingDB Entry DOI: 10.7270/Q2H41S5S
					More data for this Ligand-Target Pair