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SMILES: Cc1cc(ccc1F)-n1c(C2CCOCC2)c([C@H]2C[C@@](CF)(C2)C(O)=O)c2cc(O)ccc12

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 629210   
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
Alpha-1-antitrypsin


(Human)		BDBM629210
PNG
(US20230339915, Compound 108)
Show SMILES Cc1cc(ccc1F)-n1c(C2CCOCC2)c([C@H]2C[C@@](CF)(C2)C(O)=O)c2cc(O)ccc12 |r,wU:19.21,17.18,wD:19.25,(4.01,-4.74,;2.51,-4.43,;2,-2.98,;.48,-2.69,;-.52,-3.86,;-.01,-5.31,;1.5,-5.6,;1.98,-7.06,;-.02,-1.23,;.89,.01,;2.43,0,;3.2,1.34,;4.74,1.34,;5.51,0,;4.74,-1.33,;3.2,-1.33,;-.02,1.26,;.47,2.72,;-.3,4.05,;1.03,4.82,;.3,6.18,;-1.24,6.18,;1.8,3.49,;2.4,5.52,;3.7,4.68,;2.41,7.06,;-1.48,.78,;-2.82,1.55,;-4.15,.78,;-5.51,1.51,;-4.15,-.76,;-2.82,-1.53,;-1.48,-.76,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>5.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair