BDBM50302784 (R)-(4-(4-fluorobenzyl)-8-oxo-2-phenethyl-2,4,5,6,7,8-hexahydropyrazolo[4,3-e][1,4]diazepin-6-yl)methyl isoquinoline-5-carboxylate::CHEMBL570852

SMILES: Fc1ccc(CN2C[C@H](COC(=O)c3cccc4cnccc34)NC(=O)c3nn(CCc4ccccc4)cc23)cc1

InChI Key: InChIKey=GTNXRZUPMLDYBU-AREMUKBSSA-N

Data: 1 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 1 hit for monomerid = 50302784   

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))	BDBM50302784 ((R)-(4-(4-fluorobenzyl)-8-oxo-2-phenethyl-2,4,5,6,...) Show SMILES Fc1ccc(CN2C[C@H](COC(=O)c3cccc4cnccc34)NC(=O)c3nn(CCc4ccccc4)cc23)cc1 |r| Show InChI InChI=1S/C32H28FN5O3/c33-25-11-9-23(10-12-25)18-37-19-26(21-41-32(40)28-8-4-7-24-17-34-15-13-27(24)28)35-31(39)30-29(37)20-38(36-30)16-14-22-5-2-1-3-6-22/h1-13,15,17,20,26H,14,16,18-19,21H2,(H,35,39)/t26-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science& Technology Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced fluorescent ethidium accumulation at 10 ...				Bioorg Med Chem Lett 19: 6053-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.053 BindingDB Entry DOI: 10.7270/Q2XS5VF0
					More data for this Ligand-Target Pair