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SMILES: OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)C1CCCC(F)(F)C1

InChI Key:

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 528292   
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
Integrin alpha-V/beta-6


(Homo sapiens (Human))
BDBM528292
PNG
(US11180494, Example 161)
Show SMILES OC(=O)C(CCO[C@H]1C[C@H](CCc2ccc3CCCNc3n2)C1)NC(=O)C1CCCC(F)(F)C1 |r,w:3.25,wU:9.9,wD:7.6,(-6.94,-3.59,;-5.61,-2.82,;-4.28,-3.59,;-5.61,-1.28,;-4.28,-.51,;-2.94,-1.28,;-1.61,-.51,;-.28,-1.28,;.12,-2.76,;1.61,-2.37,;2.94,-3.14,;4.28,-2.37,;5.61,-3.14,;5.61,-4.68,;6.94,-5.45,;8.28,-4.68,;9.61,-5.45,;10.95,-4.68,;10.95,-3.14,;9.61,-2.37,;8.28,-3.14,;6.94,-2.37,;1.21,-.88,;-6.94,-.51,;-6.94,1.03,;-5.61,1.8,;-8.28,1.8,;-9.61,1.03,;-10.95,1.8,;-10.95,3.34,;-9.61,4.11,;-10.38,5.45,;-8.84,5.45,;-8.28,3.34,)|
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<50n/an/an/an/an/an/a


TBA

Assay Description
The biochemical potency of compounds was determined using a proximity-based assay (ALPHASCREENŽ, Perkin Elmer, Waltham, Mass.) as described previousl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GT5RC5
More data for this
Ligand-Target Pair