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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 411.8
BDBM275083

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM275083
PNG
(US10221195, Example 25 | US9879032, Example 25)
Show SMILES CC[C@H]1COc2ncc(NS(=O)(=O)c3cc(Cl)ccc3OC)cc2C(=O)N1 |r|
Show InChI InChI=1S/C17H18ClN3O5S/c1-3-11-9-26-17-13(16(22)20-11)7-12(8-19-17)21-27(23,24)15-6-10(18)4-5-14(15)25-2/h4-8,11,21H,3,9H2,1-2H3,(H,20,22)/t11-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited; Sanford Burnham Prebys Medical Discovery Institute

US Patent


Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


US Patent US10221195 (2019)


BindingDB Entry DOI: 10.7270/Q2QZ2D83
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM275083
PNG
(US10221195, Example 25 | US9879032, Example 25)
Show SMILES CC[C@H]1COc2ncc(NS(=O)(=O)c3cc(Cl)ccc3OC)cc2C(=O)N1 |r|
Show InChI InChI=1S/C17H18ClN3O5S/c1-3-11-9-26-17-13(16(22)20-11)7-12(8-19-17)21-27(23,24)15-6-10(18)4-5-14(15)25-2/h4-8,11,21H,3,9H2,1-2H3,(H,20,22)/t11-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/an/an/an/an/a25



Daiichi Sankyo Company, Limited; Sandford Burnham Prebys Medical Discovery Institute

US Patent


Assay Description
COS 1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (In...


US Patent US9879032 (2018)


BindingDB Entry DOI: 10.7270/Q2F76FKB
More data for this
Ligand-Target Pair