BDBM50413371 CHEMBL495195

SMILES: COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ccccc1

InChI Key: InChIKey=HWWMBMTVBODZCC-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 = 50413371   

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 2 (Homo sapiens (Human))	BDBM50413371 (CHEMBL495195) Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ccccc1 Show InChI InChI=1S/C20H22N4O2/c1-12(2)14-9-16(25-3)15(13-7-5-4-6-8-13)10-17(14)26-18-11-23-20(22)24-19(18)21/h4-12H,1-3H3,(H4,21,22,23,24)	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
P2X purinoceptor 3 (RAT)	BDBM50413371 (CHEMBL495195) Show SMILES COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ccccc1 Show InChI InChI=1S/C20H22N4O2/c1-12(2)14-9-16(25-3)15(13-7-5-4-6-8-13)10-17(14)26-18-11-23-20(22)24-19(18)21/h4-12H,1-3H3,(H4,21,22,23,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	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