BDBM50544695 CHEMBL4648902

SMILES: Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2ccsc2)c(Cl)c1

InChI Key: InChIKey=ARWXKCIBVKCPEZ-AWEZNQCLSA-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 = 50544695   

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))	BDBM50544695 (CHEMBL4648902) Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2ccsc2)c(Cl)c1 |r| Show InChI InChI=1S/C16H14Cl2N2O2S/c17-11-2-1-10(13(18)7-11)8-19-16(22)14-3-4-15(21)20(14)12-5-6-23-9-12/h1-2,5-7,9,14H,3-4,8H2,(H,19,22)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	256	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))	BDBM50544695 (CHEMBL4648902) Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2ccsc2)c(Cl)c1 |r| Show InChI InChI=1S/C16H14Cl2N2O2S/c17-11-2-1-10(13(18)7-11)8-19-16(22)14-3-4-15(21)20(14)12-5-6-23-9-12/h1-2,5-7,9,14H,3-4,8H2,(H,19,22)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.25E+3	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))	BDBM50544695 (CHEMBL4648902) Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2ccsc2)c(Cl)c1 |r| Show InChI InChI=1S/C16H14Cl2N2O2S/c17-11-2-1-10(13(18)7-11)8-19-16(22)14-3-4-15(21)20(14)12-5-6-23-9-12/h1-2,5-7,9,14H,3-4,8H2,(H,19,22)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	813	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