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SMILES: Cc1cc(cc(O)c1-c1ccc(N[C@H]2C[C@@](C)(O)C2)nn1)C(F)(F)F

InChI Key:

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 = 531221   
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
Tumor necrosis factor


(Homo sapiens (Human))
BDBM531221
PNG
(2-(6-(((cis)-3-Hydroxy-3-methylcyclobutyl)amino)py...)
Show SMILES Cc1cc(cc(O)c1-c1ccc(N[C@H]2C[C@@](C)(O)C2)nn1)C(F)(F)F |r,wU:15.16,wD:13.13,15.17,(-1.69,2.69,;-3.02,1.93,;-4.35,2.69,;-5.69,1.93,;-5.69,.38,;-4.35,-.38,;-4.35,-1.93,;-3.02,.38,;-1.69,-.38,;-.35,.38,;.98,-.38,;.98,-1.93,;2.31,-2.69,;3.65,-1.93,;5.14,-2.32,;5.53,-.84,;7.02,-1.23,;6.3,.5,;4.05,-.44,;-.35,-2.69,;-1.69,-1.93,;-7.02,2.69,;-7.02,4.23,;-8.35,1.92,;-8.36,3.46,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells were maintained according to providers' instructions in RPMI media as described above. Undifferentiated cells were plated a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))
BDBM531221
PNG
(2-(6-(((cis)-3-Hydroxy-3-methylcyclobutyl)amino)py...)
Show SMILES Cc1cc(cc(O)c1-c1ccc(N[C@H]2C[C@@](C)(O)C2)nn1)C(F)(F)F |r,wU:15.16,wD:13.13,15.17,(-1.69,2.69,;-3.02,1.93,;-4.35,2.69,;-5.69,1.93,;-5.69,.38,;-4.35,-.38,;-4.35,-1.93,;-3.02,.38,;-1.69,-.38,;-.35,.38,;.98,-.38,;.98,-1.93,;2.31,-2.69,;3.65,-1.93,;5.14,-2.32,;5.53,-.84,;7.02,-1.23,;6.3,.5,;4.05,-.44,;-.35,-2.69,;-1.69,-1.93,;-7.02,2.69,;-7.02,4.23,;-8.35,1.92,;-8.36,3.46,)|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10.2n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair