BindingDB logo
myBDB logout

null

SMILES: CCOC(=O)[C@H](C)NP(=O)(COc1cc(C)c(C)c2Cc3scnc3-c12)N[C@@H](C)C(=O)OCC

InChI Key: InChIKey=UZWZCPWLKKLXON-HOTGVXAUSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50317151   
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


(Homo sapiens (Human))
BDBM50317151
PNG
((2S,2'S)-diethyl 2,2'-(((6,7-dimethyl-8H-indeno[1,...)
Show SMILES CCOC(=O)[C@H](C)NP(=O)(COc1cc(C)c(C)c2Cc3scnc3-c12)N[C@@H](C)C(=O)OCC |r|
Show InChI InChI=1S/C23H32N3O6PS/c1-7-30-22(27)15(5)25-33(29,26-16(6)23(28)31-8-2)12-32-18-9-13(3)14(4)17-10-19-21(20(17)18)24-11-34-19/h9,11,15-16H,7-8,10,12H2,1-6H3,(H2,25,26,29)/t15-,16-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/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
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50317151
PNG
((2S,2'S)-diethyl 2,2'-(((6,7-dimethyl-8H-indeno[1,...)
Show SMILES CCOC(=O)[C@H](C)NP(=O)(COc1cc(C)c(C)c2Cc3scnc3-c12)N[C@@H](C)C(=O)OCC |r|
Show InChI InChI=1S/C23H32N3O6PS/c1-7-30-22(27)15(5)25-33(29,26-16(6)23(28)31-8-2)12-32-18-9-13(3)14(4)17-10-19-21(20(17)18)24-11-34-19/h9,11,15-16H,7-8,10,12H2,1-6H3,(H2,25,26,29)/t15-,16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 580n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 20: 2938-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.017
BindingDB Entry DOI: 10.7270/Q2222TXQ
More data for this
Ligand-Target Pair