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BDBM46023 4-[5-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyltetrazol-1-yl]benzamide::4-[5-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-1,2,3,4-tetrazol-1-yl]benzamide::4-[5-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]tetrazol-1-yl]benzamide::4-[5-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-1-tetrazolyl]benzamide::MLS-0255212.0001::cid_2010274

SMILES: NC(=O)c1ccc(cc1)-n1nnnc1SCC(=O)c1ccc(O)c(O)c1

InChI Key: InChIKey=IORNAGYAHIJMSI-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 46023   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM46023
PNG
(4-[5-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanylt...)
Show SMILES NC(=O)c1ccc(cc1)-n1nnnc1SCC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H13N5O4S/c17-15(25)9-1-4-11(5-2-9)21-16(18-19-20-21)26-8-14(24)10-3-6-12(22)13(23)7-10/h1-7,22-23H,8H2,(H2,17,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.76E+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, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM46023
PNG
(4-[5-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanylt...)
Show SMILES NC(=O)c1ccc(cc1)-n1nnnc1SCC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H13N5O4S/c17-15(25)9-1-4-11(5-2-9)21-16(18-19-20-21)26-8-14(24)10-3-6-12(22)13(23)7-10/h1-7,22-23H,8H2,(H2,17,25)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.48E+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