BDBM50413396 CHEMBL492562

SMILES: COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#N

InChI Key: InChIKey=WZTGXCZSRLRAEO-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 = 50413396   

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)	BDBM50413396 (CHEMBL492562) Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#N Show InChI InChI=1S/C15H17N5O2/c1-8(2)10-5-11(21-3)9(6-16)4-12(10)22-13-7-19-15(18)20-14(13)17/h4-5,7-8H,1-3H3,(H4,17,18,19,20)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 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))	BDBM50413396 (CHEMBL492562) Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#N Show InChI InChI=1S/C15H17N5O2/c1-8(2)10-5-11(21-3)9(6-16)4-12(10)22-13-7-19-15(18)20-14(13)17/h4-5,7-8H,1-3H3,(H4,17,18,19,20)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+3	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