BDBM50544691 CHEMBL4635391

SMILES: Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2cscn2)c(Cl)c1

InChI Key: InChIKey=JWWIADYVLMPROS-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 = 50544691   

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))	BDBM50544691 (CHEMBL4635391) Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2cscn2)c(Cl)c1 |r| Show InChI InChI=1S/C15H13Cl2N3O2S/c16-10-2-1-9(11(17)5-10)6-18-15(22)12-3-4-14(21)20(12)13-7-23-8-19-13/h1-2,5,7-8,12H,3-4,6H2,(H,18,22)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	78	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))	BDBM50544691 (CHEMBL4635391) Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2cscn2)c(Cl)c1 |r| Show InChI InChI=1S/C15H13Cl2N3O2S/c16-10-2-1-9(11(17)5-10)6-18-15(22)12-3-4-14(21)20(12)13-7-23-8-19-13/h1-2,5,7-8,12H,3-4,6H2,(H,18,22)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	384	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))	BDBM50544691 (CHEMBL4635391) Show SMILES Clc1ccc(CNC(=O)[C@@H]2CCC(=O)N2c2cscn2)c(Cl)c1 |r| Show InChI InChI=1S/C15H13Cl2N3O2S/c16-10-2-1-9(11(17)5-10)6-18-15(22)12-3-4-14(21)20(12)13-7-23-8-19-13/h1-2,5,7-8,12H,3-4,6H2,(H,18,22)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	256	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