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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for UniProtKB: P00691   
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-amylase


(Bacillus subtilis (strain 168))		BDBM50499987
PNG
(CHEMBL3742315)
Show SMILES [H][C@]12[C@H](O)[C@](Oc3cc(O)c(C)c(OC)c13)(Oc1cc(OC)c3CC[C@H](Oc3c21)c1ccccc1)c1ccccc1 |r,THB:3:2:6.15.5:16.17.28|
Show InChI InChI=1S/C33H30O7/c1-18-22(34)16-25-27(30(18)37-3)29-28-26(40-33(39-25,32(29)35)20-12-8-5-9-13-20)17-24(36-2)21-14-15-23(38-31(21)28)19-10-6-4-7-11-19/h4-13,16-17,23,29,32,34-35H,14-15H2,1-3H3/t23-,29-,32-,33+/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.20E+4n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis alpha-amylase

Bioorg Med Chem 23: 7641-9 (2015)


Article DOI: 10.1016/j.bmc.2015.11.008
BindingDB Entry DOI: 10.7270/Q2TH8QPX
More data for this
Ligand-Target Pair