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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1-antitrypsin' and Ligand = 'BDBM629202'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-1-antitrypsin


(Human)
BDBM629202
PNG
(US20230339915, Compound 80)
Show SMILES CC(C)c1c(C2CC3(CC(C3)C(O)=O)C2)c2cc(O)ccc2n1-c1ccc(F)cc1 |w:9.11,(4.15,.08,;3.35,-1.24,;4.1,-2.58,;1.81,-1.25,;.91,-0,;1.39,1.46,;.62,2.79,;1.96,3.56,;1.19,4.9,;2.52,5.67,;3.29,4.33,;3.07,7.11,;4.59,7.36,;2.09,8.3,;2.73,2.23,;-.56,-.48,;-1.89,.29,;-3.22,-.48,;-4.59,.24,;-3.22,-2.02,;-1.89,-2.79,;-.56,-2.02,;.91,-2.49,;1.39,-3.95,;2.91,-4.22,;3.44,-5.67,;2.45,-6.85,;2.96,-8.3,;.93,-6.58,;.41,-5.13,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<2.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair