BDBM50499857 CHEMBL3740315

SMILES: O=C(N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=HVCWQFYBPNCEJE-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 50499857   

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))	BDBM50499857 (CHEMBL3740315) Show SMILES O=C(N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C12CC3CC(CC(C3)C1)C2 |TLB:44:39:46:43.42.45,44:43:46:40.39.38,THB:38:37:40.39.44:42,38:39:42:37.46.45,1:37:40.39.44:42| Show InChI InChI=1S/C35H37N5O6S/c41-31-17-32(38-10-12-39(13-11-38)33(42)35-18-24-14-25(19-35)16-26(15-24)20-35)40(34(43)37-31)22-23-4-6-28(7-5-23)46-47(44,45)30-3-1-2-27-21-36-9-8-29(27)30/h1-9,17,21,24-26H,10-16,18-20,22H2,(H,37,41,43)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	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
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499857 (CHEMBL3740315) Show SMILES O=C(N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C12CC3CC(CC(C3)C1)C2 |TLB:44:39:46:43.42.45,44:43:46:40.39.38,THB:38:37:40.39.44:42,38:39:42:37.46.45,1:37:40.39.44:42| Show InChI InChI=1S/C35H37N5O6S/c41-31-17-32(38-10-12-39(13-11-38)33(42)35-18-24-14-25(19-35)16-26(15-24)20-35)40(34(43)37-31)22-23-4-6-28(7-5-23)46-47(44,45)30-3-1-2-27-21-36-9-8-29(27)30/h1-9,17,21,24-26H,10-16,18-20,22H2,(H,37,41,43)	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 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