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SMILES: Cc1cc(ccc1F)-n1c(C2CCOCC2)c([C@H]2C[C@@](C)(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 = 629208   
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)		BDBM629208
PNG
(US20230339915, Compound 99)
Show SMILES Cc1cc(ccc1F)-n1c(C2CCOCC2)c([C@H]2C[C@@](C)(C2)C(O)=O)c2cc(O)ccc12 |r,wU:17.18,19.21,wD:19.24,(3.98,-4.73,;2.47,-4.45,;1.96,-3,;.44,-2.71,;-.56,-3.88,;-.05,-5.34,;1.46,-5.62,;1.94,-7.08,;-.05,-1.25,;.86,-.01,;2.4,0,;3.15,-1.35,;4.73,-1.35,;5.53,0,;4.73,1.32,;3.19,1.32,;-.05,1.24,;.43,2.7,;-.27,4.07,;1.1,4.77,;.33,6.11,;1.8,3.4,;2.44,5.54,;3.77,4.77,;2.44,7.08,;-1.51,.76,;-2.84,1.53,;-4.18,.76,;-5.53,1.51,;-4.18,-.78,;-2.84,-1.55,;-1.51,-.78,)|
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