BDBM50544690 CHEMBL4647719

SMILES: FC(F)(F)c1cccc(CNC(=O)[C@@H]2CCC(=O)N2c2cccs2)c1Cl

InChI Key: InChIKey=PVIQKWMPRWBULF-LBPRGKRZSA-N

Data: 1 KI  2 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 3 hits for monomerid = 50544690   

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))	BDBM50544690 (CHEMBL4647719) Show SMILES FC(F)(F)c1cccc(CNC(=O)[C@@H]2CCC(=O)N2c2cccs2)c1Cl |r| Show InChI InChI=1S/C17H14ClF3N2O2S/c18-15-10(3-1-4-11(15)17(19,20)21)9-22-16(25)12-6-7-13(24)23(12)14-5-2-8-26-14/h1-5,8,12H,6-7,9H2,(H,22,25)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method				J Med Chem 63: 2074-2094 (2020)
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50544690 (CHEMBL4647719) Show SMILES FC(F)(F)c1cccc(CNC(=O)[C@@H]2CCC(=O)N2c2cccs2)c1Cl |r| Show InChI InChI=1S/C17H14ClF3N2O2S/c18-15-10(3-1-4-11(15)17(19,20)21)9-22-16(25)12-6-7-13(24)23(12)14-5-2-8-26-14/h1-5,8,12H,6-7,9H2,(H,22,25)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	218	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of [3H]-A804598 from human P2X7 expressed in human HEK293 cell membrane incubated for 1 hr by microplate scintillation counting method				J Med Chem 63: 2074-2094 (2020)
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50544690 (CHEMBL4647719) Show SMILES FC(F)(F)c1cccc(CNC(=O)[C@@H]2CCC(=O)N2c2cccs2)c1Cl |r| Show InChI InChI=1S/C17H14ClF3N2O2S/c18-15-10(3-1-4-11(15)17(19,20)21)9-22-16(25)12-6-7-13(24)23(12)14-5-2-8-26-14/h1-5,8,12H,6-7,9H2,(H,22,25)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of human P2X7 expressed in human HEK293 cells assessed as reduction in BzATP-stimulated TO-PRO-3 incorporation preincubated with compound ...				J Med Chem 63: 2074-2094 (2020)
					More data for this Ligand-Target Pair