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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alkaline phosphatase placental-like' and Ligand = 'BDBM39611'   
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 placental-like


(Homo sapiens (Human))
BDBM39611
PNG
(1-(2-keto-2-pyrrolidino-ethyl)-3-phenyl-thieno[3,2...)
Show SMILES O=C(Cn1c2ccsc2c(=O)n(-c2ccccc2)c1=O)N1CCCC1
Show InChI InChI=1S/C18H17N3O3S/c22-15(19-9-4-5-10-19)12-20-14-8-11-25-16(14)17(23)21(18(20)24)13-6-2-1-3-7-13/h1-3,6-8,11H,4-5,9-10,12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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 placental-like


(Homo sapiens (Human))
BDBM39611
PNG
(1-(2-keto-2-pyrrolidino-ethyl)-3-phenyl-thieno[3,2...)
Show SMILES O=C(Cn1c2ccsc2c(=O)n(-c2ccccc2)c1=O)N1CCCC1
Show InChI InChI=1S/C18H17N3O3S/c22-15(19-9-4-5-10-19)12-20-14-8-11-25-16(14)17(23)21(18(20)24)13-6-2-1-3-7-13/h1-3,6-8,11H,4-5,9-10,12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.65E+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