BDBM50359212 CHEMBL1923307

SMILES: CCN1C2=NC(C)(C)CN2c2c(nc(-c3ccc(cc3)-c3ccccc3)n2Cc2ccc(F)c(F)c2)C1=O

InChI Key: InChIKey=PCZMXCGDABFVFX-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 = 50359212   

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 (P2X7) (Rattus norvegicus (Rat))	BDBM50359212 (CHEMBL1923307) Show SMILES CCN1C2=NC(C)(C)CN2c2c(nc(-c3ccc(cc3)-c3ccccc3)n2Cc2ccc(F)c(F)c2)C1=O |t:3| Show InChI InChI=1S/C30H27F2N5O/c1-4-35-28(38)25-27(37-18-30(2,3)34-29(35)37)36(17-19-10-15-23(31)24(32)16-19)26(33-25)22-13-11-21(12-14-22)20-8-6-5-7-9-20/h5-16H,4,17-18H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in rat whole blood				Bioorg Med Chem Lett 21: 7287-90 (2011) Article DOI: 10.1016/j.bmcl.2011.10.037 BindingDB Entry DOI: 10.7270/Q2DV1K8Z
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50359212 (CHEMBL1923307) Show SMILES CCN1C2=NC(C)(C)CN2c2c(nc(-c3ccc(cc3)-c3ccccc3)n2Cc2ccc(F)c(F)c2)C1=O |t:3| Show InChI InChI=1S/C30H27F2N5O/c1-4-35-28(38)25-27(37-18-30(2,3)34-29(35)37)36(17-19-10-15-23(31)24(32)16-19)26(33-25)22-13-11-21(12-14-22)20-8-6-5-7-9-20/h5-16H,4,17-18H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in LPS-stimulated human whole blood assessed as inhibition of ATP-induced IL1-beta production treated 30 mins be...				Bioorg Med Chem Lett 21: 7287-90 (2011) Article DOI: 10.1016/j.bmcl.2011.10.037 BindingDB Entry DOI: 10.7270/Q2DV1K8Z
					More data for this Ligand-Target Pair