BDBM50536393 CHEMBL4561852

SMILES: CN(C)c1ccc(cc1)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1

InChI Key: InChIKey=YMBFNIIQUUIOKW-UHFFFAOYSA-N

Data: 3 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 = 50536393   

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))	BDBM50536393 (CHEMBL4561852) Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C33H32N6O6S/c1-36(2)26-10-8-24(9-11-26)32(41)38-18-16-37(17-19-38)31-20-30(40)35-33(42)39(31)22-23-6-12-27(13-7-23)45-46(43,44)29-5-3-4-25-21-34-15-14-28(25)29/h3-15,20-21H,16-19,22H2,1-2H3,(H,35,40,42)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	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 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 3 (Homo sapiens (Human))	BDBM50536393 (CHEMBL4561852) Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C33H32N6O6S/c1-36(2)26-10-8-24(9-11-26)32(41)38-18-16-37(17-19-38)31-20-30(40)35-33(42)39(31)22-23-6-12-27(13-7-23)45-46(43,44)29-5-3-4-25-21-34-15-14-28(25)29/h3-15,20-21H,16-19,22H2,1-2H3,(H,35,40,42)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.66E+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 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))	BDBM50536393 (CHEMBL4561852) Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C33H32N6O6S/c1-36(2)26-10-8-24(9-11-26)32(41)38-18-16-37(17-19-38)31-20-30(40)35-33(42)39(31)22-23-6-12-27(13-7-23)45-46(43,44)29-5-3-4-25-21-34-15-14-28(25)29/h3-15,20-21H,16-19,22H2,1-2H3,(H,35,40,42)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	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