BDBM50413399 CHEMBL492968

SMILES: COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ncc[nH]1

InChI Key: InChIKey=BMGSNGSJUJYWRK-UHFFFAOYSA-N

Data: 2 IC50

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 = 50413399   

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
P2X purinoceptor 3 (RAT)	BDBM50413399 (CHEMBL492968) Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ncc[nH]1 Show InChI InChI=1S/C17H20N6O2/c1-9(2)10-6-12(24-3)11(16-20-4-5-21-16)7-13(10)25-14-8-22-17(19)23-15(14)18/h4-9H,1-3H3,(H,20,21)(H4,18,19,22,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Antagonist activity at rat recombinant P2X3 receptor expressed in CHO cells by FLIPR assay				Bioorg Med Chem Lett 19: 1628-31 (2009) Article DOI: 10.1016/j.bmcl.2009.02.003 BindingDB Entry DOI: 10.7270/Q29023NX
					More data for this Ligand-Target Pair
P2X purinoceptor 2 (Homo sapiens (Human))	BDBM50413399 (CHEMBL492968) Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ncc[nH]1 Show InChI InChI=1S/C17H20N6O2/c1-9(2)10-6-12(24-3)11(16-20-4-5-21-16)7-13(10)25-14-8-22-17(19)23-15(14)18/h4-9H,1-3H3,(H,20,21)(H4,18,19,22,23)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of P2X2 receptor				Bioorg Med Chem Lett 19: 1628-31 (2009) Article DOI: 10.1016/j.bmcl.2009.02.003 BindingDB Entry DOI: 10.7270/Q29023NX
					More data for this Ligand-Target Pair