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BDBM46077 (4E)-4-[3-(2-chlorophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ylidene]-2-hydroxy-1-cyclohexa-2,5-dienone::(4E)-4-[3-(2-chlorophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ylidene]-2-hydroxy-cyclohexa-2,5-dien-1-one::(4E)-4-[3-(2-chlorophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ylidene]-2-hydroxycyclohexa-2,5-dien-1-one::(4E)-4-[3-(2-chlorophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ylidene]-2-oxidanyl-cyclohexa-2,5-dien-1-one::MLS-0390861.0001::cid_16000021

SMILES: Oc1ccc(cc1O)C1=Nn2c(SC1)nnc2-c1ccccc1Cl

InChI Key: InChIKey=RULJSWPQJWGXFS-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 = 46077   
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))
BDBM46077
PNG
((4E)-4-[3-(2-chlorophenyl)-5H-[1,2,4]triazolo[3,4-...)
Show SMILES Oc1ccc(cc1O)C1=Nn2c(SC1)nnc2-c1ccccc1Cl
Show InChI InChI=1S/C16H11ClN4O2S/c17-11-4-2-1-3-10(11)15-18-19-16-21(15)20-12(8-24-16)9-5-6-13(22)14(23)7-9/h1-7,22-23H,8H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.50E+4n/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))
BDBM46077
PNG
((4E)-4-[3-(2-chlorophenyl)-5H-[1,2,4]triazolo[3,4-...)
Show SMILES Oc1ccc(cc1O)C1=Nn2c(SC1)nnc2-c1ccccc1Cl
Show InChI InChI=1S/C16H11ClN4O2S/c17-11-4-2-1-3-10(11)15-18-19-16-21(15)20-12(8-24-16)9-5-6-13(22)14(23)7-9/h1-7,22-23H,8H2
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.02E+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