BDBM50302786 (R)-(4-(4-hydroxy-3-methylbenzyl)-8-oxo-2-phenethyl-2,4,5,6,7,8-hexahydropyrazolo[4,3-e][1,4]diazepin-6-yl)methyl isoquinoline-5-carboxylate::CHEMBL577761

SMILES: Cc1cc(CN2C[C@H](COC(=O)c3cccc4cnccc34)NC(=O)c3nn(CCc4ccccc4)cc23)ccc1O

InChI Key: InChIKey=BWNNZNQLHRGAPE-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 = 50302786   

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))	BDBM50302786 ((R)-(4-(4-hydroxy-3-methylbenzyl)-8-oxo-2-phenethy...) Show SMILES Cc1cc(CN2C[C@H](COC(=O)c3cccc4cnccc34)NC(=O)c3nn(CCc4ccccc4)cc23)ccc1O |r| Show InChI InChI=1S/C33H31N5O4/c1-22-16-24(10-11-30(22)39)18-37-19-26(21-42-33(41)28-9-5-8-25-17-34-14-12-27(25)28)35-32(40)31-29(37)20-38(36-31)15-13-23-6-3-2-4-7-23/h2-12,14,16-17,20,26,39H,13,15,18-19,21H2,1H3,(H,35,40)/t26-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	740	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