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SMILES: Cc1cc(ccc1F)-n1c(C2CCOCC2)c(C2CC3(C[C@@H](C3)C(O)=O)C2)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 = 629181   
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)		BDBM629181
PNG
(US20230339915, Compound 12)
Show SMILES Cc1cc(ccc1F)-n1c(C2CCOCC2)c(C2CC3(C[C@@H](C3)C(O)=O)C2)c2cc(O)ccc12 |r,wD:21.25,(4.01,-5.98,;2.5,-5.68,;2.01,-4.22,;.5,-3.92,;-.52,-5.08,;-.03,-6.54,;1.48,-6.84,;1.97,-8.3,;-.03,-2.47,;.88,-1.23,;2.42,-1.23,;3.19,.11,;4.73,.11,;5.5,-1.23,;4.73,-2.56,;3.19,-2.56,;-.03,.02,;.47,1.48,;1.8,2.25,;1.03,3.58,;.26,4.91,;1.6,5.68,;2.37,4.35,;2.1,7.14,;3.61,7.43,;1.09,8.3,;-.3,2.81,;-1.49,-.46,;-2.82,.31,;-4.16,-.46,;-5.5,.3,;-4.16,-2,;-2.82,-2.77,;-1.49,-2,)|
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