BDBM50404090 CHEMBL424451

SMILES: COc1ccc(C)c(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1

InChI Key: InChIKey=APLGQRPVXWWNAW-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

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 = 50404090   

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))	BDBM50404090 (CHEMBL424451) Show SMILES COc1ccc(C)c(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1 |TLB:21:12:19:16.15.17,THB:20:12:15:18.19.17,20:18:12.13.21:15,21:16:12.13.20:19| Show InChI InChI=1S/C20H27NO2/c1-13-3-4-17(23-2)8-18(13)21-19(22)12-20-9-14-5-15(10-20)7-16(6-14)11-20/h3-4,8,14-16H,5-7,9-12H2,1-2H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Punjabi University Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor (unknown origin)				Bioorg Med Chem 22: 54-88 (2014) Article DOI: 10.1016/j.bmc.2013.10.054 BindingDB Entry DOI: 10.7270/Q27M0BX7
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50404090 (CHEMBL424451) Show SMILES COc1ccc(C)c(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1 |TLB:21:12:19:16.15.17,THB:20:12:15:18.19.17,20:18:12.13.21:15,21:16:12.13.20:19| Show InChI InChI=1S/C20H27NO2/c1-13-3-4-17(23-2)8-18(13)21-19(22)12-20-9-14-5-15(10-20)7-16(6-14)11-20/h3-4,8,14-16H,5-7,9-12H2,1-2H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced ethidium uptake				J Med Chem 52: 3123-41 (2009) Article DOI: 10.1021/jm801528x BindingDB Entry DOI: 10.7270/Q2251KDR
					More data for this Ligand-Target Pair