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BDBM34474 5-bromanyl-N-[2-methoxy-5-(2-oxidanylidenechromen-3-yl)phenyl]furan-2-carboxamide::5-bromo-N-[2-methoxy-5-(2-oxo-1-benzopyran-3-yl)phenyl]-2-furancarboxamide::5-bromo-N-[2-methoxy-5-(2-oxo-2H-chromen-3-yl)phenyl]-2-furamide::5-bromo-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]furan-2-carboxamide::5-bromo-N-[5-(2-ketochromen-3-yl)-2-methoxy-phenyl]-2-furamide::MLS000050979::SMR000078724::cid_1254469

SMILES: COc1ccc(cc1NC(=O)c1ccc(Br)o1)-c1cc2ccccc2oc1=O

InChI Key: InChIKey=OHFVLUBHWQGIAF-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 34474   
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
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM34474
PNG
(5-bromanyl-N-[2-methoxy-5-(2-oxidanylidenechromen-...)
Show SMILES COc1ccc(cc1NC(=O)c1ccc(Br)o1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C21H14BrNO5/c1-26-17-7-6-12(11-15(17)23-20(24)18-8-9-19(22)27-18)14-10-13-4-2-3-5-16(13)28-21(14)25/h2-11H,1H3,(H,23,24)
PDB
MMDB

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PC sid
UniChem

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PCBioAssay
n/an/a 2.77E+3n/an/an/an/a8.023



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D5W
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM34474
PNG
(5-bromanyl-N-[2-methoxy-5-(2-oxidanylidenechromen-...)
Show SMILES COc1ccc(cc1NC(=O)c1ccc(Br)o1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C21H14BrNO5/c1-26-17-7-6-12(11-15(17)23-20(24)18-8-9-19(22)27-18)14-10-13-4-2-3-5-16(13)28-21(14)25/h2-11H,1H3,(H,23,24)
PDB
MMDB

NCI pathway
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KEGG

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UniChem

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PCBioAssay
n/an/a 4.07E+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
Neutrophil cytosol factor 1 [S99G]


(Homo sapiens (Human))
BDBM34474
PNG
(5-bromanyl-N-[2-methoxy-5-(2-oxidanylidenechromen-...)
Show SMILES COc1ccc(cc1NC(=O)c1ccc(Br)o1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C21H14BrNO5/c1-26-17-7-6-12(11-15(17)23-20(24)18-8-9-19(22)27-18)14-10-13-4-2-3-5-16(13)28-21(14)25/h2-11H,1H3,(H,23,24)
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PCBioAssay
n/an/a 5.00E+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: Susan Smith, Emory Univers...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M90723
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM34474
PNG
(5-bromanyl-N-[2-methoxy-5-(2-oxidanylidenechromen-...)
Show SMILES COc1ccc(cc1NC(=O)c1ccc(Br)o1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C21H14BrNO5/c1-26-17-7-6-12(11-15(17)23-20(24)18-8-9-19(22)27-18)14-10-13-4-2-3-5-16(13)28-21(14)25/h2-11H,1H3,(H,23,24)
PDB

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antibodypedia
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n/an/a 1.57E+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
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM34474
PNG
(5-bromanyl-N-[2-methoxy-5-(2-oxidanylidenechromen-...)
Show SMILES COc1ccc(cc1NC(=O)c1ccc(Br)o1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C21H14BrNO5/c1-26-17-7-6-12(11-15(17)23-20(24)18-8-9-19(22)27-18)14-10-13-4-2-3-5-16(13)28-21(14)25/h2-11H,1H3,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.57E+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