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BDBM50536384 CHEMBL4586600

SMILES: CC(C)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1

InChI Key: InChIKey=YMFLZAHPVOCBDO-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 = 50536384   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50536384
PNG
(CHEMBL4586600)
Show SMILES CC(C)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C33H32N4O4S/c1-23(2)24-6-8-26(9-7-24)33(38)36-18-15-28(16-19-36)37-22-35-21-31(37)25-10-12-29(13-11-25)41-42(39,40)32-5-3-4-27-20-34-17-14-30(27)32/h3-14,17,20-23,28H,15-16,18-19H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 37n/an/an/an/an/an/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
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50536384
PNG
(CHEMBL4586600)
Show SMILES CC(C)c1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C33H32N4O4S/c1-23(2)24-6-8-26(9-7-24)33(38)36-18-15-28(16-19-36)37-22-35-21-31(37)25-10-12-29(13-11-25)41-42(39,40)32-5-3-4-27-20-34-17-14-30(27)32/h3-14,17,20-23,28H,15-16,18-19H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 55n/an/an/an/an/an/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