BDBM50075467 CHEMBL3415342

SMILES: FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O

InChI Key: InChIKey=NTIPPLUXKZVJHM-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 50075467   

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))	BDBM50075467 (CHEMBL3415342) Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O Show InChI InChI=1S/C32H26ClF3N4O6S/c33-26-9-6-20(17-25(26)32(34,35)36)30(42)39-14-11-22(12-15-39)40-27(29(41)38-31(40)43)16-19-4-7-23(8-5-19)46-47(44,45)28-3-1-2-21-18-37-13-10-24(21)28/h1-10,13,17-18,22,27H,11-12,14-16H2,(H,38,41,43)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...				J Med Chem 58: 2114-34 (2015) Article DOI: 10.1021/jm500324g BindingDB Entry DOI: 10.7270/Q2H133QD
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50075467 (CHEMBL3415342) Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O Show InChI InChI=1S/C32H26ClF3N4O6S/c33-26-9-6-20(17-25(26)32(34,35)36)30(42)39-14-11-22(12-15-39)40-27(29(41)38-31(40)43)16-19-4-7-23(8-5-19)46-47(44,45)28-3-1-2-21-18-37-13-10-24(21)28/h1-10,13,17-18,22,27H,11-12,14-16H2,(H,38,41,43)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.68E+5	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...				J Med Chem 58: 2114-34 (2015) Article DOI: 10.1021/jm500324g BindingDB Entry DOI: 10.7270/Q2H133QD
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50075467 (CHEMBL3415342) Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O Show InChI InChI=1S/C32H26ClF3N4O6S/c33-26-9-6-20(17-25(26)32(34,35)36)30(42)39-14-11-22(12-15-39)40-27(29(41)38-31(40)43)16-19-4-7-23(8-5-19)46-47(44,45)28-3-1-2-21-18-37-13-10-24(21)28/h1-10,13,17-18,22,27H,11-12,14-16H2,(H,38,41,43)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...				J Med Chem 58: 2114-34 (2015) Article DOI: 10.1021/jm500324g BindingDB Entry DOI: 10.7270/Q2H133QD
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50075467 (CHEMBL3415342) Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O Show InChI InChI=1S/C32H26ClF3N4O6S/c33-26-9-6-20(17-25(26)32(34,35)36)30(42)39-14-11-22(12-15-39)40-27(29(41)38-31(40)43)16-19-4-7-23(8-5-19)46-47(44,45)28-3-1-2-21-18-37-13-10-24(21)28/h1-10,13,17-18,22,27H,11-12,14-16H2,(H,38,41,43)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in LPS/IFN-gamma-differentiated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preinc...				J Med Chem 58: 2114-34 (2015) Article DOI: 10.1021/jm500324g BindingDB Entry DOI: 10.7270/Q2H133QD
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50075467 (CHEMBL3415342) Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O Show InChI InChI=1S/C32H26ClF3N4O6S/c33-26-9-6-20(17-25(26)32(34,35)36)30(42)39-14-11-22(12-15-39)40-27(29(41)38-31(40)43)16-19-4-7-23(8-5-19)46-47(44,45)28-3-1-2-21-18-37-13-10-24(21)28/h1-10,13,17-18,22,27H,11-12,14-16H2,(H,38,41,43)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X3 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced calcium influx preincubated for 30 m...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50075467 (CHEMBL3415342) Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O Show InChI InChI=1S/C32H26ClF3N4O6S/c33-26-9-6-20(17-25(26)32(34,35)36)30(42)39-14-11-22(12-15-39)40-27(29(41)38-31(40)43)16-19-4-7-23(8-5-19)46-47(44,45)28-3-1-2-21-18-37-13-10-24(21)28/h1-10,13,17-18,22,27H,11-12,14-16H2,(H,38,41,43)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in LPS/IFN-gamma-differentiated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preinc...				J Med Chem 58: 2114-34 (2015) Article DOI: 10.1021/jm500324g BindingDB Entry DOI: 10.7270/Q2H133QD
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50075467 (CHEMBL3415342) Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O Show InChI InChI=1S/C32H26ClF3N4O6S/c33-26-9-6-20(17-25(26)32(34,35)36)30(42)39-14-11-22(12-15-39)40-27(29(41)38-31(40)43)16-19-4-7-23(8-5-19)46-47(44,45)28-3-1-2-21-18-37-13-10-24(21)28/h1-10,13,17-18,22,27H,11-12,14-16H2,(H,38,41,43)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in LPS-primed mouse J774.A1 cells assessed as inhibition of ATP-induced IL-1beta release after 30 mins by ELISA				J Med Chem 58: 2114-34 (2015) Article DOI: 10.1021/jm500324g BindingDB Entry DOI: 10.7270/Q2H133QD
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50075467 (CHEMBL3415342) Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O Show InChI InChI=1S/C32H26ClF3N4O6S/c33-26-9-6-20(17-25(26)32(34,35)36)30(42)39-14-11-22(12-15-39)40-27(29(41)38-31(40)43)16-19-4-7-23(8-5-19)46-47(44,45)28-3-1-2-21-18-37-13-10-24(21)28/h1-10,13,17-18,22,27H,11-12,14-16H2,(H,38,41,43)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake measured after 2 hrs by fluo...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50075467 (CHEMBL3415342) Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O Show InChI InChI=1S/C32H26ClF3N4O6S/c33-26-9-6-20(17-25(26)32(34,35)36)30(42)39-14-11-22(12-15-39)40-27(29(41)38-31(40)43)16-19-4-7-23(8-5-19)46-47(44,45)28-3-1-2-21-18-37-13-10-24(21)28/h1-10,13,17-18,22,27H,11-12,14-16H2,(H,38,41,43)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor in LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50075467 (CHEMBL3415342) Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O Show InChI InChI=1S/C32H26ClF3N4O6S/c33-26-9-6-20(17-25(26)32(34,35)36)30(42)39-14-11-22(12-15-39)40-27(29(41)38-31(40)43)16-19-4-7-23(8-5-19)46-47(44,45)28-3-1-2-21-18-37-13-10-24(21)28/h1-10,13,17-18,22,27H,11-12,14-16H2,(H,38,41,43)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in LPS/IFN-gamma-differentiated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preinc...				J Med Chem 58: 2114-34 (2015) Article DOI: 10.1021/jm500324g BindingDB Entry DOI: 10.7270/Q2H133QD
					More data for this Ligand-Target Pair