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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 328.3
BDBM46019
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM46019
PNG
(1-(3,4-dihydroxyphenyl)-2-[(5-pyridin-4-yl-1H-1,2,...)
Show SMILES Oc1ccc(cc1O)C(=O)CSc1nnc([nH]1)-c1ccncc1
Show InChI InChI=1S/C15H12N4O3S/c20-11-2-1-10(7-12(11)21)13(22)8-23-15-17-14(18-19-15)9-3-5-16-6-4-9/h1-7,20-21H,8H2,(H,17,18,19)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.53E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RRG
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))
BDBM46019
PNG
(1-(3,4-dihydroxyphenyl)-2-[(5-pyridin-4-yl-1H-1,2,...)
Show SMILES Oc1ccc(cc1O)C(=O)CSc1nnc([nH]1)-c1ccncc1
Show InChI InChI=1S/C15H12N4O3S/c20-11-2-1-10(7-12(11)21)13(22)8-23-15-17-14(18-19-15)9-3-5-16-6-4-9/h1-7,20-21H,8H2,(H,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.95E+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