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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 = 'BDBM39657'   
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))
BDBM39657
PNG
(MLS000523074 | N-(4-fluorobenzyl)-2-(2-keto-6-pyrr...)
Show SMILES Fc1ccc(CNC(=O)Cn2c3ccc(cc3oc2=O)S(=O)(=O)N2CCCC2)cc1
Show InChI InChI=1S/C20H20FN3O5S/c21-15-5-3-14(4-6-15)12-22-19(25)13-24-17-8-7-16(11-18(17)29-20(24)26)30(27,28)23-9-1-2-10-23/h3-8,11H,1-2,9-10,12-13H2,(H,22,25)
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))
BDBM39657
PNG
(MLS000523074 | N-(4-fluorobenzyl)-2-(2-keto-6-pyrr...)
Show SMILES Fc1ccc(CNC(=O)Cn2c3ccc(cc3oc2=O)S(=O)(=O)N2CCCC2)cc1
Show InChI InChI=1S/C20H20FN3O5S/c21-15-5-3-14(4-6-15)12-22-19(25)13-24-17-8-7-16(11-18(17)29-20(24)26)30(27,28)23-9-1-2-10-23/h3-8,11H,1-2,9-10,12-13H2,(H,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 457n/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