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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 = 'BDBM34392'   
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))
BDBM34392
PNG
(5-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-2-p...)
Show SMILES CC(C)C1N=C2N(C1=O)C(SCC(=O)c1ccc(O)c(O)c1)=Nc1ccccc21 |c:4,23|
Show InChI InChI=1S/C21H19N3O4S/c1-11(2)18-20(28)24-19(23-18)13-5-3-4-6-14(13)22-21(24)29-10-17(27)12-7-8-15(25)16(26)9-12/h3-9,11,18,25-26H,10H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

PCBioAssay
n/an/a 3.11E+3n/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))
BDBM34392
PNG
(5-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-2-p...)
Show SMILES CC(C)C1N=C2N(C1=O)C(SCC(=O)c1ccc(O)c(O)c1)=Nc1ccccc21 |c:4,23|
Show InChI InChI=1S/C21H19N3O4S/c1-11(2)18-20(28)24-19(23-18)13-5-3-4-6-14(13)22-21(24)29-10-17(27)12-7-8-15(25)16(26)9-12/h3-9,11,18,25-26H,10H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

PCBioAssay
n/an/an/an/a 9.99E+5n/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