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BDBM50075452 CHEMBL3415315

SMILES: O=C(N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O)C12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=MYEFSEBVWCWJNA-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50075452   
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))
BDBM50075452
PNG
(CHEMBL3415315)
Show SMILES O=C(N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C35H38N4O6S/c40-32-30(17-22-4-6-28(7-5-22)45-46(43,44)31-3-1-2-26-21-36-11-8-29(26)31)39(34(42)37-32)27-9-12-38(13-10-27)33(41)35-18-23-14-24(19-35)16-25(15-23)20-35/h1-8,11,21,23-25,27,30H,9-10,12-20H2,(H,37,40,42)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in LPS/IFN-gamma-differentiated human THP1 cells assessed as inhibition of BzATP-induced IL-1beta release preinc...


J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50075452
PNG
(CHEMBL3415315)
Show SMILES O=C(N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C35H38N4O6S/c40-32-30(17-22-4-6-28(7-5-22)45-46(43,44)31-3-1-2-26-21-36-11-8-29(26)31)39(34(42)37-32)27-9-12-38(13-10-27)33(41)35-18-23-14-24(19-35)16-25(15-23)20-35/h1-8,11,21,23-25,27,30H,9-10,12-20H2,(H,37,40,42)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced intracellular ethidium bromi...


J Med Chem 58: 2114-34 (2015)


Article DOI: 10.1021/jm500324g
BindingDB Entry DOI: 10.7270/Q2H133QD
More data for this
Ligand-Target Pair