BDBM50416604 CHEMBL1222604

SMILES: CC(C)N1[C@@H](CCC1=O)C(=O)NCc1ccc(F)cc1Cl

InChI Key: InChIKey=JBPACZXKPFNNDS-ZDUSSCGKSA-N

Data: 4 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 4 hits for monomerid = 50416604   

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))	BDBM50416604 (CHEMBL1222604) Show SMILES CC(C)N1[C@@H](CCC1=O)C(=O)NCc1ccc(F)cc1Cl |r| Show InChI InChI=1S/C15H18ClFN2O2/c1-9(2)19-13(5-6-14(19)20)15(21)18-8-10-3-4-11(17)7-12(10)16/h3-4,7,9,13H,5-6,8H2,1-2H3,(H,18,21)/t13-/m0/s1	PDB KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of rat P2X7 receptor by ethidium bromide release assay				Bioorg Med Chem Lett 20: 5080-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.033 BindingDB Entry DOI: 10.7270/Q289173T
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM50416604 (CHEMBL1222604) Show SMILES CC(C)N1[C@@H](CCC1=O)C(=O)NCc1ccc(F)cc1Cl |r| Show InChI InChI=1S/C15H18ClFN2O2/c1-9(2)19-13(5-6-14(19)20)15(21)18-8-10-3-4-11(17)7-12(10)16/h3-4,7,9,13H,5-6,8H2,1-2H3,(H,18,21)/t13-/m0/s1	PDB KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of rat P2X7 receptor by ethidium bromide release assay				Bioorg Med Chem Lett 20: 5080-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.033 BindingDB Entry DOI: 10.7270/Q289173T
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50416604 (CHEMBL1222604) Show SMILES CC(C)N1[C@@H](CCC1=O)C(=O)NCc1ccc(F)cc1Cl |r| Show InChI InChI=1S/C15H18ClFN2O2/c1-9(2)19-13(5-6-14(19)20)15(21)18-8-10-3-4-11(17)7-12(10)16/h3-4,7,9,13H,5-6,8H2,1-2H3,(H,18,21)/t13-/m0/s1	PDB KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human P2X7 receptor by ethidium bromide release assay				Bioorg Med Chem Lett 20: 5080-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.033 BindingDB Entry DOI: 10.7270/Q289173T
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50416604 (CHEMBL1222604) Show SMILES CC(C)N1[C@@H](CCC1=O)C(=O)NCc1ccc(F)cc1Cl |r| Show InChI InChI=1S/C15H18ClFN2O2/c1-9(2)19-13(5-6-14(19)20)15(21)18-8-10-3-4-11(17)7-12(10)16/h3-4,7,9,13H,5-6,8H2,1-2H3,(H,18,21)/t13-/m0/s1	PDB KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human P2X7 receptor by ethidium bromide release assay				Bioorg Med Chem Lett 20: 5080-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.033 BindingDB Entry DOI: 10.7270/Q289173T
					More data for this Ligand-Target Pair