BDBM50414329 CHEMBL336545

SMILES: Cc1ccccc1NC(=O)CC12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=GUARIIIAASFTLE-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 = 50414329   

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))	BDBM50414329 (CHEMBL336545) Show SMILES Cc1ccccc1NC(=O)CC12CC3CC(CC(C3)C1)C2 |TLB:20:11:18:15.14.16,THB:20:15:11.12.19:18,16:17:12:15.20.14,16:15:12:17.19.18| Show InChI InChI=1S/C19H25NO/c1-13-4-2-3-5-17(13)20-18(21)12-19-9-14-6-15(10-19)8-16(7-14)11-19/h2-5,14-16H,6-12H2,1H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	158	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
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50414329 (CHEMBL336545) Show SMILES Cc1ccccc1NC(=O)CC12CC3CC(CC(C3)C1)C2 |TLB:20:11:18:15.14.16,THB:20:15:11.12.19:18,16:17:12:15.20.14,16:15:12:17.19.18| Show InChI InChI=1S/C19H25NO/c1-13-4-2-3-5-17(13)20-18(21)12-19-9-14-6-15(10-19)8-16(7-14)11-19/h2-5,14-16H,6-12H2,1H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Antagonistic activity against P2X7 receptor				Bioorg Med Chem Lett 13: 4047-50 (2003) BindingDB Entry DOI: 10.7270/Q2J966XJ
					More data for this Ligand-Target Pair