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BDBM40031 MLS000095690::N-[4-[5-(2-furanyl)-1-triazolyl]phenyl]-2-oxo-1-benzopyran-3-carboxamide::N-[4-[5-(2-furyl)triazol-1-yl]phenyl]-2-keto-chromene-3-carboxamide::N-[4-[5-(furan-2-yl)-1,2,3-triazol-1-yl]phenyl]-2-oxidanylidene-chromene-3-carboxamide::N-[4-[5-(furan-2-yl)triazol-1-yl]phenyl]-2-oxochromene-3-carboxamide::N-{4-[5-(2-furyl)-1H-1,2,3-triazol-1-yl]phenyl}-2-oxo-2H-chromene-3-carboxamide::SMR000031236::cid_3241109

SMILES: O=C(Nc1ccc(cc1)-n1nncc1-c1ccco1)c1cc2ccccc2oc1=O

InChI Key: InChIKey=PGSHZAPPYXEFIH-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 40031   
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
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM40031
PNG
(MLS000095690 | N-[4-[5-(2-furanyl)-1-triazolyl]phe...)
Show SMILES O=C(Nc1ccc(cc1)-n1nncc1-c1ccco1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C22H14N4O4/c27-21(17-12-14-4-1-2-5-19(14)30-22(17)28)24-15-7-9-16(10-8-15)26-18(13-23-25-26)20-6-3-11-29-20/h1-13H,(H,24,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.73E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 1


(Homo sapiens (Human))
BDBM40031
PNG
(MLS000095690 | N-[4-[5-(2-furanyl)-1-triazolyl]phe...)
Show SMILES O=C(Nc1ccc(cc1)-n1nncc1-c1ccco1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C22H14N4O4/c27-21(17-12-14-4-1-2-5-19(14)30-22(17)28)24-15-7-9-16(10-8-15)26-18(13-23-25-26)20-6-3-11-29-20/h1-13H,(H,24,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.47E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2BP0175
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM40031
PNG
(MLS000095690 | N-[4-[5-(2-furanyl)-1-triazolyl]phe...)
Show SMILES O=C(Nc1ccc(cc1)-n1nncc1-c1ccco1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C22H14N4O4/c27-21(17-12-14-4-1-2-5-19(14)30-22(17)28)24-15-7-9-16(10-8-15)26-18(13-23-25-26)20-6-3-11-29-20/h1-13H,(H,24,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.90E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM40031
PNG
(MLS000095690 | N-[4-[5-(2-furanyl)-1-triazolyl]phe...)
Show SMILES O=C(Nc1ccc(cc1)-n1nncc1-c1ccco1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C22H14N4O4/c27-21(17-12-14-4-1-2-5-19(14)30-22(17)28)24-15-7-9-16(10-8-15)26-18(13-23-25-26)20-6-3-11-29-20/h1-13H,(H,24,27)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.06E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair