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4 similar compounds to monomer 75990

Compile data set for download or QSAR
Wt: 422.4
BDBM43035
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Wt: 392.3
BDBM78568
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Wt: 390.3
BDBM79520
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Wt: 359.3
BDBM94973
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 43035,78568,79520,94973   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
nuclear receptor coactivator 1 isoform 1


(Homo sapiens (Human))
BDBM43035
PNG
(2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid (2...)
Show SMILES O=C(Nc1ccc2oc(nc2c1)-c1ccc2ccccc2c1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C26H18N2O4/c29-25(18-7-9-23-24(14-18)31-12-11-30-23)27-20-8-10-22-21(15-20)28-26(32-22)19-6-5-16-3-1-2-4-17(16)13-19/h1-10,13-15H,11-12H2,(H,27,29)
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n/an/an/an/a 2.71E+4n/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) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2FT8JGV
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM43035
PNG
(2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid (2...)
Show SMILES O=C(Nc1ccc2oc(nc2c1)-c1ccc2ccccc2c1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C26H18N2O4/c29-25(18-7-9-23-24(14-18)31-12-11-30-23)27-20-8-10-22-21(15-20)28-26(32-22)19-6-5-16-3-1-2-4-17(16)13-19/h1-10,13-15H,11-12H2,(H,27,29)
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n/an/an/an/a 3.71E+4n/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 http://molscreen.florida.scripps.edu/ Center Affiliation: The ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2707ZV7
More data for this
Ligand-Target Pair
NCOA2 protein


(Homo sapiens (Human))
BDBM43035
PNG
(2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid (2...)
Show SMILES O=C(Nc1ccc2oc(nc2c1)-c1ccc2ccccc2c1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C26H18N2O4/c29-25(18-7-9-23-24(14-18)31-12-11-30-23)27-20-8-10-22-21(15-20)28-26(32-22)19-6-5-16-3-1-2-4-17(16)13-19/h1-10,13-15H,11-12H2,(H,27,29)
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n/an/an/an/a 2.21E+4n/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) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
dTDP-4-dehydrorhamnose 3,5-epimerase RmlC


(Mycobacterium tuberculosis H37Rv)
BDBM43035
PNG
(2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid (2...)
Show SMILES O=C(Nc1ccc2oc(nc2c1)-c1ccc2ccccc2c1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C26H18N2O4/c29-25(18-7-9-23-24(14-18)31-12-11-30-23)27-20-8-10-22-21(15-20)28-26(32-22)19-6-5-16-3-1-2-4-17(16)13-19/h1-10,13-15H,11-12H2,(H,27,29)
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n/an/a 2.76E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State Universi...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TD9VRT
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM94973
PNG
(MLS000708474 | N-(2-pyridin-4-yl-1,3-benzoxazol-5-...)
Show SMILES O=C(Nc1ccc2oc(nc2c1)-c1ccncc1)c1ccc2OCOc2c1
Show InChI InChI=1S/C20H13N3O4/c24-19(13-1-3-17-18(9-13)26-11-25-17)22-14-2-4-16-15(10-14)23-20(27-16)12-5-7-21-8-6-12/h1-10H,11H2,(H,22,24)
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n/an/a>8.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM78568
PNG
(MLS000114154 | N-[2-(3-fluorophenyl)-1,3-benzoxazo...)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1ccc2oc(nc2c1)-c1cccc(F)c1
Show InChI InChI=1S/C22H17FN2O4/c1-27-19-8-6-13(11-20(19)28-2)21(26)24-16-7-9-18-17(12-16)25-22(29-18)14-4-3-5-15(23)10-14/h3-12H,1-2H3,(H,24,26)
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n/an/a>2.00E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM79520
PNG
(MLS000087794 | N-[2-(2-fluorophenyl)-1,3-benzoxazo...)
Show SMILES Fc1ccccc1-c1nc2cc(NC(=O)c3ccc4OCCOc4c3)ccc2o1
Show InChI InChI=1S/C22H15FN2O4/c23-16-4-2-1-3-15(16)22-25-17-12-14(6-8-18(17)29-22)24-21(26)13-5-7-19-20(11-13)28-10-9-27-19/h1-8,11-12H,9-10H2,(H,24,26)
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n/an/an/an/a 3.11E+4n/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 (2011)


BindingDB Entry DOI: 10.7270/Q22N50RJ
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM94973
PNG
(MLS000708474 | N-(2-pyridin-4-yl-1,3-benzoxazol-5-...)
Show SMILES O=C(Nc1ccc2oc(nc2c1)-c1ccncc1)c1ccc2OCOc2c1
Show InChI InChI=1S/C20H13N3O4/c24-19(13-1-3-17-18(9-13)26-11-25-17)22-14-2-4-16-15(10-14)23-20(27-16)12-5-7-21-8-6-12/h1-10H,11H2,(H,22,24)
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n/an/a 7.98E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2I


(Homo sapiens (Human))
BDBM43035
PNG
(2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid (2...)
Show SMILES O=C(Nc1ccc2oc(nc2c1)-c1ccc2ccccc2c1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C26H18N2O4/c29-25(18-7-9-23-24(14-18)31-12-11-30-23)27-20-8-10-22-21(15-20)28-26(32-22)19-6-5-16-3-1-2-4-17(16)13-19/h1-10,13-15H,11-12H2,(H,27,29)
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n/an/a 3.89E+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/Q2V986G8
More data for this
Ligand-Target Pair