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BDBM41873 2-[5-(2-furanyl)-1H-1,2,4-triazol-3-yl]-1,3-dioxo-5-isoindolecarboxylic acid::2-[5-(2-furyl)-1H-1,2,4-triazol-3-yl]-1,3-diketo-isoindoline-5-carboxylic acid::2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid::2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1,3-dioxoisoindole-5-carboxylic acid::MLS-0146260.0001::cid_2971779

SMILES: OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1nnc([nH]1)-c1ccco1

InChI Key: InChIKey=ILVLTOZUNXBJDT-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 41873   
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))
BDBM41873
PNG
(2-[5-(2-furanyl)-1H-1,2,4-triazol-3-yl]-1,3-dioxo-...)
Show SMILES OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1nnc([nH]1)-c1ccco1
Show InChI InChI=1S/C15H8N4O5/c20-12-8-4-3-7(14(22)23)6-9(8)13(21)19(12)15-16-11(17-18-15)10-2-1-5-24-10/h1-6H,(H,22,23)(H,16,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.06E+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 (2009)

More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM41873
PNG
(2-[5-(2-furanyl)-1H-1,2,4-triazol-3-yl]-1,3-dioxo-...)
Show SMILES OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1nnc([nH]1)-c1ccco1
Show InChI InChI=1S/C15H8N4O5/c20-12-8-4-3-7(14(22)23)6-9(8)13(21)19(12)15-16-11(17-18-15)10-2-1-5-24-10/h1-6H,(H,22,23)(H,16,17,18)
KEGG

UniProtKB/SwissProt

DrugBank
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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)

More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM41873
PNG
(2-[5-(2-furanyl)-1H-1,2,4-triazol-3-yl]-1,3-dioxo-...)
Show SMILES OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1nnc([nH]1)-c1ccco1
Show InChI InChI=1S/C15H8N4O5/c20-12-8-4-3-7(14(22)23)6-9(8)13(21)19(12)15-16-11(17-18-15)10-2-1-5-24-10/h1-6H,(H,22,23)(H,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

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n/an/a 1.50E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM41873
PNG
(2-[5-(2-furanyl)-1H-1,2,4-triazol-3-yl]-1,3-dioxo-...)
Show SMILES OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1nnc([nH]1)-c1ccco1
Show InChI InChI=1S/C15H8N4O5/c20-12-8-4-3-7(14(22)23)6-9(8)13(21)19(12)15-16-11(17-18-15)10-2-1-5-24-10/h1-6H,(H,22,23)(H,16,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.23E+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 (2010)

More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM41873
PNG
(2-[5-(2-furanyl)-1H-1,2,4-triazol-3-yl]-1,3-dioxo-...)
Show SMILES OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1nnc([nH]1)-c1ccco1
Show InChI InChI=1S/C15H8N4O5/c20-12-8-4-3-7(14(22)23)6-9(8)13(21)19(12)15-16-11(17-18-15)10-2-1-5-24-10/h1-6H,(H,22,23)(H,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC sid
UniChem
PCBioAssay
n/an/a 1.71E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM41873
PNG
(2-[5-(2-furanyl)-1H-1,2,4-triazol-3-yl]-1,3-dioxo-...)
Show SMILES OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1nnc([nH]1)-c1ccco1
Show InChI InChI=1S/C15H8N4O5/c20-12-8-4-3-7(14(22)23)6-9(8)13(21)19(12)15-16-11(17-18-15)10-2-1-5-24-10/h1-6H,(H,22,23)(H,16,17,18)
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



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)

More data for this
Ligand-Target Pair