BDBM50413345 CHEMBL494159

SMILES: COc1cc(C(C)C)c(Oc2cnc(NCC(C)O)nc2N)cc1I

InChI Key: InChIKey=LASOJZQWBVFRTA-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 = 50413345   

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)	BDBM50413345 (CHEMBL494159) Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCC(C)O)nc2N)cc1I Show InChI InChI=1S/C17H23IN4O3/c1-9(2)11-5-14(24-4)12(18)6-13(11)25-15-8-21-17(22-16(15)19)20-7-10(3)23/h5-6,8-10,23H,7H2,1-4H3,(H3,19,20,21,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	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 P2X3 receptor expressed in CHO cells by FLIPR				Bioorg Med Chem Lett 19: 1632-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.097 BindingDB Entry DOI: 10.7270/Q2DN44ZM
					More data for this Ligand-Target Pair
P2X purinoceptor 2 (Homo sapiens (Human))	BDBM50413345 (CHEMBL494159) Show SMILES COc1cc(C(C)C)c(Oc2cnc(NCC(C)O)nc2N)cc1I Show InChI InChI=1S/C17H23IN4O3/c1-9(2)11-5-14(24-4)12(18)6-13(11)25-15-8-21-17(22-16(15)19)20-7-10(3)23/h5-6,8-10,23H,7H2,1-4H3,(H3,19,20,21,22)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Antagonist activity at human P2X2/3 receptor expressed in 1321n1c cells by FLIPR				Bioorg Med Chem Lett 19: 1632-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.097 BindingDB Entry DOI: 10.7270/Q2DN44ZM
					More data for this Ligand-Target Pair