BDBM242031 US9415055, 2,3-Dichloro-N-[2-(4,4-difluoro-piperidin-1-yl)-2-(4-fluoro-phenyl)-ethyl]-benzamide::US9593105, 32

SMILES: Fc1ccc(cc1)C(CNC(=O)c1cccc(Cl)c1Cl)N1CCC(F)(F)CC1

InChI Key: InChIKey=ASROAJWWBQODIW-UHFFFAOYSA-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 = 242031   

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))	BDBM242031 (US9415055, 2,3-Dichloro-N-[2-(4,4-difluoro-piperid...) Show SMILES Fc1ccc(cc1)C(CNC(=O)c1cccc(Cl)c1Cl)N1CCC(F)(F)CC1 Show InChI InChI=1S/C20H19Cl2F3N2O/c21-16-3-1-2-15(18(16)22)19(28)26-12-17(13-4-6-14(23)7-5-13)27-10-8-20(24,25)9-11-27/h1-7,17H,8-12H2,(H,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.330	n/a	n/a	n/a	n/a	7.4	37
H. Lundbeck A/S US Patent					Assay Description Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), NaH2PO42H2O (9.6 mM), HEPES (25 mM), sucrose (280...				US Patent US9415055 (2016) BindingDB Entry DOI: 10.7270/Q2NC604C
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM242031 (US9415055, 2,3-Dichloro-N-[2-(4,4-difluoro-piperid...) Show SMILES Fc1ccc(cc1)C(CNC(=O)c1cccc(Cl)c1Cl)N1CCC(F)(F)CC1 Show InChI InChI=1S/C20H19Cl2F3N2O/c21-16-3-1-2-15(18(16)22)19(28)26-12-17(13-4-6-14(23)7-5-13)27-10-8-20(24,25)9-11-27/h1-7,17H,8-12H2,(H,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium mobilization monitored for 5 min...				Bioorg Med Chem Lett 26: 3838-45 (2016) Article DOI: 10.1016/j.bmcl.2016.06.048
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM242031 (US9415055, 2,3-Dichloro-N-[2-(4,4-difluoro-piperid...) Show SMILES Fc1ccc(cc1)C(CNC(=O)c1cccc(Cl)c1Cl)N1CCC(F)(F)CC1 Show InChI InChI=1S/C20H19Cl2F3N2O/c21-16-3-1-2-15(18(16)22)19(28)26-12-17(13-4-6-14(23)7-5-13)27-10-8-20(24,25)9-11-27/h1-7,17H,8-12H2,(H,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium mobilization monitored for 5 min...				Bioorg Med Chem Lett 26: 3838-45 (2016) Article DOI: 10.1016/j.bmcl.2016.06.048
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM242031 (US9415055, 2,3-Dichloro-N-[2-(4,4-difluoro-piperid...) Show SMILES Fc1ccc(cc1)C(CNC(=O)c1cccc(Cl)c1Cl)N1CCC(F)(F)CC1 Show InChI InChI=1S/C20H19Cl2F3N2O/c21-16-3-1-2-15(18(16)22)19(28)26-12-17(13-4-6-14(23)7-5-13)27-10-8-20(24,25)9-11-27/h1-7,17H,8-12H2,(H,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description Cell culture: 293 HEK cells, stably transfected with plasmids capable of expressing human P2X7 receptor, were cultured by standard methods. Cells wer...				US Patent US9593105 (2017) BindingDB Entry DOI: 10.7270/Q2R49STH
					More data for this Ligand-Target Pair