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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 = 'BDBM41892'   
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))
BDBM41892
PNG
(1-(3,4-dihydroxyphenyl)-2-[(4-prop-2-enyl-5-pyridi...)
Show SMILES Oc1ccc(cc1O)C(=O)CSc1nnc(-c2cccnc2)n1CC=C
Show InChI InChI=1S/C18H16N4O3S/c1-2-8-22-17(13-4-3-7-19-10-13)20-21-18(22)26-11-16(25)12-5-6-14(23)15(24)9-12/h2-7,9-10,23-24H,1,8,11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.92E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29S1PG8
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))
BDBM41892
PNG
(1-(3,4-dihydroxyphenyl)-2-[(4-prop-2-enyl-5-pyridi...)
Show SMILES Oc1ccc(cc1O)C(=O)CSc1nnc(-c2cccnc2)n1CC=C
Show InChI InChI=1S/C18H16N4O3S/c1-2-8-22-17(13-4-3-7-19-10-13)20-21-18(22)26-11-16(25)12-5-6-14(23)15(24)9-12/h2-7,9-10,23-24H,1,8,11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.04E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2JQ0ZDS
More data for this
Ligand-Target Pair