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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 = 'BDBM39778'   
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))
BDBM39778
PNG
(MLS000325589 | N-(4-methylphenyl)-3-[[3-(trifluoro...)
Show SMILES Cc1ccc(NC(=O)c2sccc2SCc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H16F3NOS2/c1-13-5-7-16(8-6-13)24-19(25)18-17(9-10-26-18)27-12-14-3-2-4-15(11-14)20(21,22)23/h2-11H,12H2,1H3,(H,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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))
BDBM39778
PNG
(MLS000325589 | N-(4-methylphenyl)-3-[[3-(trifluoro...)
Show SMILES Cc1ccc(NC(=O)c2sccc2SCc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H16F3NOS2/c1-13-5-7-16(8-6-13)24-19(25)18-17(9-10-26-18)27-12-14-3-2-4-15(11-14)20(21,22)23/h2-11H,12H2,1H3,(H,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.31E+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