BDBM50499858 CHEMBL3741312

SMILES: O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1

InChI Key: InChIKey=NBMVIPYJICNVFW-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 = 50499858   

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))	BDBM50499858 (CHEMBL3741312) Show SMILES O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 |TLB:10:5:12:9.8.11,10:9:12:6.5.4,THB:8:7:4:10.9.11,8:9:6.7.12:4| Show InChI InChI=1S/C36H39N5O6S/c42-32-17-33(39-10-12-40(13-11-39)34(43)21-36-18-25-14-26(19-36)16-27(15-25)20-36)41(35(44)38-32)23-24-4-6-29(7-5-24)47-48(45,46)31-3-1-2-28-22-37-9-8-30(28)31/h1-9,17,22,25-27H,10-16,18-21,23H2,(H,38,42,44)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	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
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50499858 (CHEMBL3741312) Show SMILES O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 |TLB:10:5:12:9.8.11,10:9:12:6.5.4,THB:8:7:4:10.9.11,8:9:6.7.12:4| Show InChI InChI=1S/C36H39N5O6S/c42-32-17-33(39-10-12-40(13-11-39)34(43)21-36-18-25-14-26(19-36)16-27(15-25)20-36)41(35(44)38-32)23-24-4-6-29(7-5-24)47-48(45,46)31-3-1-2-28-22-37-9-8-30(28)31/h1-9,17,22,25-27H,10-16,18-21,23H2,(H,38,42,44)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	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