BDBM50413389 CHEMBL494240

SMILES: COc1cc(CC(C)C)c(Cc2cnc(N)nc2N)cc1OC

InChI Key: InChIKey=MFFLGGCSVHXZGW-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 = 50413389   

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))	BDBM50413389 (CHEMBL494240) Show SMILES COc1cc(CC(C)C)c(Cc2cnc(N)nc2N)cc1OC Show InChI InChI=1S/C17H24N4O2/c1-10(2)5-11-7-14(22-3)15(23-4)8-12(11)6-13-9-20-17(19)21-16(13)18/h7-10H,5-6H2,1-4H3,(H4,18,19,20,21)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	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)	BDBM50413389 (CHEMBL494240) Show SMILES COc1cc(CC(C)C)c(Cc2cnc(N)nc2N)cc1OC Show InChI InChI=1S/C17H24N4O2/c1-10(2)5-11-7-14(22-3)15(23-4)8-12(11)6-13-9-20-17(19)21-16(13)18/h7-10H,5-6H2,1-4H3,(H4,18,19,20,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1.00E+4	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