BindingDB logo
myBDB logout

BDBM235308 US10085990, Example 34::US9393245, 34

SMILES: CCn1c(=O)n(C2CCCC2)c2c3cccc(OC(F)(F)F)c3ncc2c1=O

InChI Key: InChIKey=LQKZFQQCAIABHJ-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 = 235308   
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
Lipopolysaccharide-induced tumor necrosis factor-alpha factor


(Homo sapiens (Human))
BDBM235308
PNG
(US10085990, Example 34 | US9393245, 34)
Show SMILES CCn1c(=O)n(C2CCCC2)c2c3cccc(OC(F)(F)F)c3ncc2c1=O
Show InChI InChI=1S/C19H18F3N3O3/c1-2-24-17(26)13-10-23-15-12(8-5-9-14(15)28-19(20,21)22)16(13)25(18(24)27)11-6-3-4-7-11/h5,8-11H,2-4,6-7H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.60E+3n/an/an/an/an/an/a



vTv Therapeutics LLC

US Patent


Assay Description
Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...


US Patent US10085990 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QRM
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM235308
PNG
(US10085990, Example 34 | US9393245, 34)
Show SMILES CCn1c(=O)n(C2CCCC2)c2c3cccc(OC(F)(F)F)c3ncc2c1=O
Show InChI InChI=1S/C19H18F3N3O3/c1-2-24-17(26)13-10-23-15-12(8-5-9-14(15)28-19(20,21)22)16(13)25(18(24)27)11-6-3-4-7-11/h5,8-11H,2-4,6-7H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.60E+3n/an/an/an/an/a25



vTv Therapeutics LLC

US Patent


Assay Description
Add 100 μL of sample or standards in Reagent Diluent, or an appropriate diluent, per well. Cover with an adhesive strip and incubate 2 hours at ro...


US Patent US9393245 (2016)


BindingDB Entry DOI: 10.7270/Q2JH3K2T
More data for this
Ligand-Target Pair