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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alkaline phosphatase, germ cell type' and Ligand = 'BDBM39679'   
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, germ cell type


(Homo sapiens (Human))
BDBM39679
PNG
((Z)-[2-keto-3-(p-tolyl)-5-pyridin-1-ium-1-yl-3-imi...)
Show SMILES Cc1ccc(cc1)-n1c(C=O)c([n-]c1=O)-[n+]1ccccc1
Show InChI InChI=1S/C16H13N3O2/c1-12-5-7-13(8-6-12)19-14(11-20)15(17-16(19)21)18-9-3-2-4-10-18/h2-11H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 9.99E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2MS3R5M
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))
BDBM39679
PNG
((Z)-[2-keto-3-(p-tolyl)-5-pyridin-1-ium-1-yl-3-imi...)
Show SMILES Cc1ccc(cc1)-n1c(C=O)c([n-]c1=O)-[n+]1ccccc1
Show InChI InChI=1S/C16H13N3O2/c1-12-5-7-13(8-6-12)19-14(11-20)15(17-16(19)21)18-9-3-2-4-10-18/h2-11H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 9.08E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair