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BDBM50322037 CHEMBL1173126::Ethyl(2S,6S)-2,6-dimethyl-4-({[7-(methylcarbamoyl)-8H-indeno[1,2-d][1,3]thiazol-4-yl]oxy}methyl)-7-oxo-8-oxa-3,5-diaza-4-phosphadecan-1-oate 4-oxide

SMILES: CCOC(=O)[C@H](C)NP(=O)(COc1ccc(C(=O)NC)c2Cc3scnc3-c12)N[C@@H](C)C(=O)OCC

InChI Key: InChIKey=QGONEYUXXNZCRN-KBPBESRZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50322037   
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
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50322037
PNG
(CHEMBL1173126 | Ethyl(2S,6S)-2,6-dimethyl-4-({[7-(...)
Show SMILES CCOC(=O)[C@H](C)NP(=O)(COc1ccc(C(=O)NC)c2Cc3scnc3-c12)N[C@@H](C)C(=O)OCC |r|
Show InChI InChI=1S/C23H31N4O7PS/c1-6-32-22(29)13(3)26-35(31,27-14(4)23(30)33-7-2)12-34-17-9-8-15(21(28)24-5)16-10-18-20(19(16)17)25-11-36-18/h8-9,11,13-14H,6-7,10,12H2,1-5H3,(H,24,28)(H2,26,27,31)/t13-,14-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human FBase


Bioorg Med Chem 18: 5346-51 (2010)


Article DOI: 10.1016/j.bmc.2010.05.041
BindingDB Entry DOI: 10.7270/Q2TB17V0
More data for this
Ligand-Target Pair