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BDBM41877 4,5,6,7-tetrachloro-2-(1H-1,2,4-triazol-5-yl)isoindole-1,3-dione::4,5,6,7-tetrachloro-2-(1H-1,2,4-triazol-5-yl)isoindoline-1,3-quinone::4,5,6,7-tetrakis(chloranyl)-2-(1H-1,2,4-triazol-5-yl)isoindole-1,3-dione::MLS-0146264.0001::cid_2975202

SMILES: Clc1c2C(=O)N(C(=O)c2c(Cl)c(Cl)c1Cl)c1nnc[nH]1

InChI Key: InChIKey=AAJFRQZOLGOAOP-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 41877   
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
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens (Human))
BDBM41877
PNG
(4,5,6,7-tetrachloro-2-(1H-1,2,4-triazol-5-yl)isoin...)
Show SMILES Clc1c2C(=O)N(C(=O)c2c(Cl)c(Cl)c1Cl)c1nnc[nH]1
Show InChI InChI=1S/C10H2Cl4N4O2/c11-4-2-3(5(12)7(14)6(4)13)9(20)18(8(2)19)10-15-1-16-17-10/h1H,(H,15,16,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.30E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q289148T
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM41877
PNG
(4,5,6,7-tetrachloro-2-(1H-1,2,4-triazol-5-yl)isoin...)
Show SMILES Clc1c2C(=O)N(C(=O)c2c(Cl)c(Cl)c1Cl)c1nnc[nH]1
Show InChI InChI=1S/C10H2Cl4N4O2/c11-4-2-3(5(12)7(14)6(4)13)9(20)18(8(2)19)10-15-1-16-17-10/h1H,(H,15,16,17)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>1.00E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RRG
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM41877
PNG
(4,5,6,7-tetrachloro-2-(1H-1,2,4-triazol-5-yl)isoin...)
Show SMILES Clc1c2C(=O)N(C(=O)c2c(Cl)c(Cl)c1Cl)c1nnc[nH]1
Show InChI InChI=1S/C10H2Cl4N4O2/c11-4-2-3(5(12)7(14)6(4)13)9(20)18(8(2)19)10-15-1-16-17-10/h1H,(H,15,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>1.00E+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