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SMILES: COC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1

InChI Key: InChIKey=AWYFCSUVODLPDD-UHFFFAOYSA-N

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 = 61769   
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
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM61769
PNG
(4-[[4-(2-furoylamino)benzoyl]amino]benzoic acid me...)
Show SMILES COC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1
Show InChI InChI=1S/C20H16N2O5/c1-26-20(25)14-6-10-15(11-7-14)21-18(23)13-4-8-16(9-5-13)22-19(24)17-3-2-12-27-17/h2-12H,1H3,(H,21,23)(H,22,24)
PDB

UniProtKB/SwissProt

antibodypedia
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PCBioAssay
n/an/a 5.25E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM61769
PNG
(4-[[4-(2-furoylamino)benzoyl]amino]benzoic acid me...)
Show SMILES COC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1
Show InChI InChI=1S/C20H16N2O5/c1-26-20(25)14-6-10-15(11-7-14)21-18(23)13-4-8-16(9-5-13)22-19(24)17-3-2-12-27-17/h2-12H,1H3,(H,21,23)(H,22,24)
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n/an/a 7.30E+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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM61769
PNG
(4-[[4-(2-furoylamino)benzoyl]amino]benzoic acid me...)
Show SMILES COC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1
Show InChI InChI=1S/C20H16N2O5/c1-26-20(25)14-6-10-15(11-7-14)21-18(23)13-4-8-16(9-5-13)22-19(24)17-3-2-12-27-17/h2-12H,1H3,(H,21,23)(H,22,24)
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n/an/a>6.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q29W0D3P
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM61769
PNG
(4-[[4-(2-furoylamino)benzoyl]amino]benzoic acid me...)
Show SMILES COC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1
Show InChI InChI=1S/C20H16N2O5/c1-26-20(25)14-6-10-15(11-7-14)21-18(23)13-4-8-16(9-5-13)22-19(24)17-3-2-12-27-17/h2-12H,1H3,(H,21,23)(H,22,24)
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n/an/a 5.83E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2KD1WJB
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM61769
PNG
(4-[[4-(2-furoylamino)benzoyl]amino]benzoic acid me...)
Show SMILES COC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1
Show InChI InChI=1S/C20H16N2O5/c1-26-20(25)14-6-10-15(11-7-14)21-18(23)13-4-8-16(9-5-13)22-19(24)17-3-2-12-27-17/h2-12H,1H3,(H,21,23)(H,22,24)
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n/an/a>6.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
26S proteasome non-ATPase regulatory subunit 14


(Homo sapiens (Human))
BDBM61769
PNG
(4-[[4-(2-furoylamino)benzoyl]amino]benzoic acid me...)
Show SMILES COC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1
Show InChI InChI=1S/C20H16N2O5/c1-26-20(25)14-6-10-15(11-7-14)21-18(23)13-4-8-16(9-5-13)22-19(24)17-3-2-12-27-17/h2-12H,1H3,(H,21,23)(H,22,24)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 2.30E+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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2PC30Z9
More data for this
Ligand-Target Pair