BDBM50399165 CHEMBL2180137

SMILES: O=C(OCc1ccccc1)N1c2ccccc2Oc2ccccc12

InChI Key: InChIKey=KGVCOYMLGBNCDW-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50399165   

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 7 (Homo sapiens (Human))	BDBM50399165 (CHEMBL2180137) Show SMILES O=C(OCc1ccccc1)N1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C20H15NO3/c22-20(23-14-15-8-2-1-3-9-15)21-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)21/h1-13H,14H2	PDB KEGG GoogleScholar AffyNet	Purchase 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
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor by cell-based calcium influx assay				J Med Chem 55: 9576-88 (2012) Article DOI: 10.1021/jm300845v BindingDB Entry DOI: 10.7270/Q2XK8GPN
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50399165 (CHEMBL2180137) Show SMILES O=C(OCc1ccccc1)N1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C20H15NO3/c22-20(23-14-15-8-2-1-3-9-15)21-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)21/h1-13H,14H2	KEGG DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	189	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx preincubate...				Bioorg Med Chem 22: 1077-88 (2014) Article DOI: 10.1016/j.bmc.2013.12.035 BindingDB Entry DOI: 10.7270/Q21R6S09
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50399165 (CHEMBL2180137) Show SMILES O=C(OCc1ccccc1)N1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C20H15NO3/c22-20(23-14-15-8-2-1-3-9-15)21-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)21/h1-13H,14H2	KEGG DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	189	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx compound preincub...				J Med Chem 55: 9576-88 (2012) Article DOI: 10.1021/jm300845v BindingDB Entry DOI: 10.7270/Q2XK8GPN
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50399165 (CHEMBL2180137) Show SMILES O=C(OCc1ccccc1)N1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C20H15NO3/c22-20(23-14-15-8-2-1-3-9-15)21-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)21/h1-13H,14H2	PDB KEGG GoogleScholar AffyNet	Purchase 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
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor by cell-based calcium influx assay				J Med Chem 55: 9576-88 (2012) Article DOI: 10.1021/jm300845v BindingDB Entry DOI: 10.7270/Q2XK8GPN
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (Homo sapiens (Human))	BDBM50399165 (CHEMBL2180137) Show SMILES O=C(OCc1ccccc1)N1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C20H15NO3/c22-20(23-14-15-8-2-1-3-9-15)21-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)21/h1-13H,14H2	Reactome pathway KEGG GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at human P2X1 receptor by cell-based calcium influx assay				J Med Chem 55: 9576-88 (2012) Article DOI: 10.1021/jm300845v BindingDB Entry DOI: 10.7270/Q2XK8GPN
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Mus musculus)	BDBM50399165 (CHEMBL2180137) Show SMILES O=C(OCc1ccccc1)N1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C20H15NO3/c22-20(23-14-15-8-2-1-3-9-15)21-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)21/h1-13H,14H2	PDB GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at mouse P2X4 receptor by cell-based calcium influx assay				J Med Chem 55: 9576-88 (2012) Article DOI: 10.1021/jm300845v BindingDB Entry DOI: 10.7270/Q2XK8GPN
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (RAT)	BDBM50399165 (CHEMBL2180137) Show SMILES O=C(OCc1ccccc1)N1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C20H15NO3/c22-20(23-14-15-8-2-1-3-9-15)21-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)21/h1-13H,14H2	PDB KEGG GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at rat P2X4 receptor by cell-based calcium influx assay				J Med Chem 55: 9576-88 (2012) Article DOI: 10.1021/jm300845v BindingDB Entry DOI: 10.7270/Q2XK8GPN
					More data for this Ligand-Target Pair
P2X purinoceptor 2 (Homo sapiens (Human))	BDBM50399165 (CHEMBL2180137) Show SMILES O=C(OCc1ccccc1)N1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C20H15NO3/c22-20(23-14-15-8-2-1-3-9-15)21-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)21/h1-13H,14H2	GoogleScholar AffyNet	Purchase 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
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at human P2X2 receptor by cell-based calcium influx assay				J Med Chem 55: 9576-88 (2012) Article DOI: 10.1021/jm300845v BindingDB Entry DOI: 10.7270/Q2XK8GPN
					More data for this Ligand-Target Pair