BDBM50499842 CHEMBL3741159

SMILES: FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1

InChI Key: InChIKey=FYNZNIRXAODRQU-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50499842   

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))	BDBM50499842 (CHEMBL3741159) Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C32H25ClF3N5O6S/c33-26-9-6-21(16-25(26)32(34,35)36)30(43)40-14-12-39(13-15-40)29-17-28(42)38-31(44)41(29)19-20-4-7-23(8-5-20)47-48(45,46)27-3-1-2-22-18-37-11-10-24(22)27/h1-11,16-18H,12-15,19H2,(H,38,42,44)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	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 ethidium ion uptake after 2 hrs				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50499842 (CHEMBL3741159) Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C32H25ClF3N5O6S/c33-26-9-6-21(16-25(26)32(34,35)36)30(43)40-14-12-39(13-15-40)29-17-28(42)38-31(44)41(29)19-20-4-7-23(8-5-20)47-48(45,46)27-3-1-2-22-18-37-11-10-24(22)27/h1-11,16-18H,12-15,19H2,(H,38,42,44)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.78E+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 Inhibition of human ERG expressed in HEK293 cells by patch clamp assay				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499842 (CHEMBL3741159) Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C32H25ClF3N5O6S/c33-26-9-6-21(16-25(26)32(34,35)36)30(43)40-14-12-39(13-15-40)29-17-28(42)38-31(44)41(29)19-20-4-7-23(8-5-20)47-48(45,46)27-3-1-2-22-18-37-11-10-24(22)27/h1-11,16-18H,12-15,19H2,(H,38,42,44)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	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))	BDBM50499842 (CHEMBL3741159) Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C32H25ClF3N5O6S/c33-26-9-6-21(16-25(26)32(34,35)36)30(43)40-14-12-39(13-15-40)29-17-28(42)38-31(44)41(29)19-20-4-7-23(8-5-20)47-48(45,46)27-3-1-2-22-18-37-11-10-24(22)27/h1-11,16-18H,12-15,19H2,(H,38,42,44)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	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))	BDBM50499842 (CHEMBL3741159) Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C32H25ClF3N5O6S/c33-26-9-6-21(16-25(26)32(34,35)36)30(43)40-14-12-39(13-15-40)29-17-28(42)38-31(44)41(29)19-20-4-7-23(8-5-20)47-48(45,46)27-3-1-2-22-18-37-11-10-24(22)27/h1-11,16-18H,12-15,19H2,(H,38,42,44)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	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 expressed in LPS/IFNgamma-differentiated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta produ...				Eur J Med Chem 106: 180-93 (2015) Article DOI: 10.1016/j.ejmech.2015.10.036 BindingDB Entry DOI: 10.7270/Q2RR227R
					More data for this Ligand-Target Pair