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BDBM50322040 CHEMBL1173636::Ethyl(2S,6S)-4-{[(7-ethyl-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}-2,6-dimethyl-7-oxo-8-oxa-3,5-diaza-4-phosphadecan-1-oate 4-oxide

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

InChI Key: InChIKey=CWVBAGKQLJZZKD-GJZGRUSLSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50322040   
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))
BDBM50322040
PNG
(CHEMBL1173636 | Ethyl(2S,6S)-4-{[(7-ethyl-8H-inden...)
Show SMILES CCOC(=O)[C@H](C)NP(=O)(COc1ccc(CC)c2Cc3scnc3-c12)N[C@@H](C)C(=O)OCC |r|
Show InChI InChI=1S/C23H32N3O6PS/c1-6-16-9-10-18(20-17(16)11-19-21(20)24-12-34-19)32-13-33(29,25-14(4)22(27)30-7-2)26-15(5)23(28)31-8-3/h9-10,12,14-15H,6-8,11,13H2,1-5H3,(H2,25,26,29)/t14-,15-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/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