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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 227.2
BDBM33577
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Wt: 224.2
BDBM48223
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Wt: 225.2
BDBM48164
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Wt: 224.2
BDBM48171
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Wt: 223.2
BDBM48186
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Wt: 224.2
BDBM48187
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Wt: 224.2
BDBM48188
Wt: 215.2
BDBM48133
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Wt: 226.2
BDBM48213
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Wt: 226.2
BDBM48156
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Wt: 224.2
BDBM48182
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Wt: 223.2
BDBM48203
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Wt: 223.2
BDBM48220
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Wt: 194.2
BDBM48247
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Wt: 224.2
BDBM48257
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Displayed 1 to 15 (of 269 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 35 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fructose-1,6-bisphosphate aldolase (FBA)


(Mycobacterium tuberculosis (strain H37Rv))
BDBM48223
PNG
(3-(6-Methyl-benzooxazol-2-yl)-phenylamine | 3-(6-m...)
Show SMILES Cc1ccc2nc(oc2c1)-c1cccc(N)c1
Show InChI InChI=1S/C14H12N2O/c1-9-5-6-12-13(7-9)17-14(16-12)10-3-2-4-11(15)8-10/h2-8H,15H2,1H3
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n/an/a 588n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q25719N6
More data for this
Ligand-Target Pair
dTDP-4-dehydrorhamnose 3,5-epimerase RmlC


(Mycobacterium tuberculosis H37Rv)
BDBM48164
PNG
(2-(4-aminophenyl)-1,3-benzoxazol-6-amine | MLS0001...)
Show SMILES Nc1ccc(cc1)-c1nc2ccc(N)cc2o1
Show InChI InChI=1S/C13H11N3O/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H,14-15H2
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n/an/a 627n/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
Zinc aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM48164
PNG
(2-(4-aminophenyl)-1,3-benzoxazol-6-amine | MLS0001...)
Show SMILES Nc1ccc(cc1)-c1nc2ccc(N)cc2o1
Show InChI InChI=1S/C13H11N3O/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H,14-15H2
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n/an/a 2.62E+4n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
BDBM33577
PNG
(3-(1,3-benzothiazol-2-yl)phenol | MLS000063319 | S...)
Show SMILES Oc1cccc(c1)-c1nc2ccccc2s1
Show InChI InChI=1S/C13H9NOS/c15-10-5-3-4-9(8-10)13-14-11-6-1-2-7-12(11)16-13/h1-8,15H
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n/an/a 5.00E+4n/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: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GC8
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM33577
PNG
(3-(1,3-benzothiazol-2-yl)phenol | MLS000063319 | S...)
Show SMILES Oc1cccc(c1)-c1nc2ccccc2s1
Show InChI InChI=1S/C13H9NOS/c15-10-5-3-4-9(8-10)13-14-11-6-1-2-7-12(11)16-13/h1-8,15H
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n/an/a>5.00E+4n/an/an/an/a7.523



PCMD

Curated by PubChem BioAssay


Assay Description
HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K64GDN
More data for this
Ligand-Target Pair
SKiNhead family member (skn-1)


(Caenorhabditis elegans)
BDBM48213
PNG
((2-phenyl-1,3-benzothiazol-6-yl)amine | 2-Phenyl-b...)
Show SMILES Nc1ccc2nc(sc2c1)-c1ccccc1
Show InChI InChI=1S/C13H10N2S/c14-10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9/h1-8H,14H2
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n/an/a 5.16E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
SKiNhead family member (skn-1)


(Caenorhabditis elegans)
BDBM48188
PNG
((Z)-1-phenyl-3-(2-pyridinylamino)-2-propen-1-one |...)
Show SMILES O=C(CC=Nc1ccccn1)c1ccccc1
Show InChI InChI=1S/C14H12N2O/c17-13(12-6-2-1-3-7-12)9-11-16-14-8-4-5-10-15-14/h1-8,10-11H,9H2
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n/an/a 5.37E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (human))
BDBM48188
PNG
((Z)-1-phenyl-3-(2-pyridinylamino)-2-propen-1-one |...)
Show SMILES O=C(CC=Nc1ccccn1)c1ccccc1
Show InChI InChI=1S/C14H12N2O/c17-13(12-6-2-1-3-7-12)9-11-16-14-8-4-5-10-15-14/h1-8,10-11H,9H2
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n/an/a>6.75E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZG6QV9
More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens)
BDBM48188
PNG
((Z)-1-phenyl-3-(2-pyridinylamino)-2-propen-1-one |...)
Show SMILES O=C(CC=Nc1ccccn1)c1ccccc1
Show InChI InChI=1S/C14H12N2O/c17-13(12-6-2-1-3-7-12)9-11-16-14-8-4-5-10-15-14/h1-8,10-11H,9H2
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n/an/a>6.75E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23777B0
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM33577
PNG
(3-(1,3-benzothiazol-2-yl)phenol | MLS000063319 | S...)
Show SMILES Oc1cccc(c1)-c1nc2ccccc2s1
Show InChI InChI=1S/C13H9NOS/c15-10-5-3-4-9(8-10)13-14-11-6-1-2-7-12(11)16-13/h1-8,15H
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n/an/a 6.76E+4n/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 Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2736PK0
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM33577
PNG
(3-(1,3-benzothiazol-2-yl)phenol | MLS000063319 | S...)
Show SMILES Oc1cccc(c1)-c1nc2ccccc2s1
Show InChI InChI=1S/C13H9NOS/c15-10-5-3-4-9(8-10)13-14-11-6-1-2-7-12(11)16-13/h1-8,15H
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n/an/a 6.76E+4n/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 Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2TX3D2C
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48220
PNG
(2-(5-Phenyl-[1,2,4]oxadiazol-3-yl)-pyridine | 5-ph...)
Show SMILES c1ccc(cc1)-c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C13H9N3O/c1-2-6-10(7-3-1)13-15-12(16-17-13)11-8-4-5-9-14-11/h1-9H
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n/an/an/an/a 8.19E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48223
PNG
(3-(6-Methyl-benzooxazol-2-yl)-phenylamine | 3-(6-m...)
Show SMILES Cc1ccc2nc(oc2c1)-c1cccc(N)c1
Show InChI InChI=1S/C14H12N2O/c1-9-5-6-12-13(7-9)17-14(16-12)10-3-2-4-11(15)8-10/h2-8H,15H2,1H3
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n/an/an/an/a 3.71E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48247
PNG
(1-acridinamine | Acridinamine | MLS000521341 | SMR...)
Show SMILES Nc1cccc2nc3ccccc3cc12
Show InChI InChI=1S/C13H10N2/c14-11-5-3-7-13-10(11)8-9-4-1-2-6-12(9)15-13/h1-8H,14H2
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n/an/an/an/a 2.19E+4n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48257
PNG
(2-(4-methoxyphenyl)-1H-benzimidazole | MLS00053268...)
Show SMILES COc1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C14H12N2O/c1-17-11-8-6-10(7-9-11)14-15-12-4-2-3-5-13(12)16-14/h2-9H,1H3,(H,15,16)
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n/an/an/an/a 2.72E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM48133
PNG
(2-methyl-6-phenyl-imidazo[2,1-b][1,3,4]thiadiazole...)
Show SMILES Cc1nn2cc(nc2s1)-c1ccccc1
Show InChI InChI=1S/C11H9N3S/c1-8-13-14-7-10(12-11(14)15-8)9-5-3-2-4-6-9/h2-7H,1H3
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n/an/an/an/a 2.03E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM33577
PNG
(3-(1,3-benzothiazol-2-yl)phenol | MLS000063319 | S...)
Show SMILES Oc1cccc(c1)-c1nc2ccccc2s1
Show InChI InChI=1S/C13H9NOS/c15-10-5-3-4-9(8-10)13-14-11-6-1-2-7-12(11)16-13/h1-8,15H
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n/an/an/an/a 4.10E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM48171
PNG
((5-methyl-2-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)a...)
Show SMILES Cc1cc(N)n2nc(cc2n1)-c1ccccc1
Show InChI InChI=1S/C13H12N4/c1-9-7-12(14)17-13(15-9)8-11(16-17)10-5-3-2-4-6-10/h2-8H,14H2,1H3
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n/an/an/an/a 1.00E+4n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM48187
PNG
(2-(4-methylphenyl)-1,3-benzoxazol-5-amine | MLS000...)
Show SMILES Cc1ccc(cc1)-c1nc2cc(N)ccc2o1
Show InChI InChI=1S/C14H12N2O/c1-9-2-4-10(5-3-9)14-16-12-8-11(15)6-7-13(12)17-14/h2-8H,15H2,1H3
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n/an/an/an/a 2.17E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
karyopherin alpha 2 (RAG cohort 1, importin alpha 1), isoform CRA_b


(Homo sapiens)
BDBM48187
PNG
(2-(4-methylphenyl)-1,3-benzoxazol-5-amine | MLS000...)
Show SMILES Cc1ccc(cc1)-c1nc2cc(N)ccc2o1
Show InChI InChI=1S/C14H12N2O/c1-9-2-4-10(5-3-9)14-16-12-8-11(15)6-7-13(12)17-14/h2-8H,15H2,1H3
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n/an/an/an/a>5.00E+5n/an/an/an/a



Broad Institute

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Assay Description
Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q280513R
More data for this
Ligand-Target Pair
FXN frataxin


(Aspergillus niger)
BDBM48247
PNG
(1-acridinamine | Acridinamine | MLS000521341 | SMR...)
Show SMILES Nc1cccc2nc3ccccc3cc12
Show InChI InChI=1S/C13H10N2/c14-11-5-3-7-13-10(11)8-9-4-1-2-6-12(9)15-13/h1-8H,14H2
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n/an/an/an/a>6.63E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
tumor necrosis factor receptor superfamily member 10B isoform 1 precursor [Homo sapiens]


(Homo sapiens)
BDBM48188
PNG
((Z)-1-phenyl-3-(2-pyridinylamino)-2-propen-1-one |...)
Show SMILES O=C(CC=Nc1ccccn1)c1ccccc1
Show InChI InChI=1S/C14H12N2O/c17-13(12-6-2-1-3-7-12)9-11-16-14-8-4-5-10-15-14/h1-8,10-11H,9H2
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n/an/an/an/a 7.61E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2P55M4P
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM48186
PNG
(5-methyl-2-(4-methylphenyl)-1,3-benzoxazole | 5-me...)
Show SMILES Cc1ccc(cc1)-c1nc2cc(C)ccc2o1
Show InChI InChI=1S/C15H13NO/c1-10-3-6-12(7-4-10)15-16-13-9-11(2)5-8-14(13)17-15/h3-9H,1-2H3
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n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48213
PNG
((2-phenyl-1,3-benzothiazol-6-yl)amine | 2-Phenyl-b...)
Show SMILES Nc1ccc2nc(sc2c1)-c1ccccc1
Show InChI InChI=1S/C13H10N2S/c14-10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9/h1-8H,14H2
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n/an/an/an/a 1.91E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48203
PNG
(3-(5-Methyl-1H-benzoimidazol-2-yl)-phenylamine | 3...)
Show SMILES Cc1ccc2nc([nH]c2c1)-c1cccc(N)c1
Show InChI InChI=1S/C14H13N3/c1-9-5-6-12-13(7-9)17-14(16-12)10-3-2-4-11(15)8-10/h2-8H,15H2,1H3,(H,16,17)
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n/an/an/an/a 2.80E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48188
PNG
((Z)-1-phenyl-3-(2-pyridinylamino)-2-propen-1-one |...)
Show SMILES O=C(CC=Nc1ccccn1)c1ccccc1
Show InChI InChI=1S/C14H12N2O/c17-13(12-6-2-1-3-7-12)9-11-16-14-8-4-5-10-15-14/h1-8,10-11H,9H2
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n/an/an/an/a 2.01E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48187
PNG
(2-(4-methylphenyl)-1,3-benzoxazol-5-amine | MLS000...)
Show SMILES Cc1ccc(cc1)-c1nc2cc(N)ccc2o1
Show InChI InChI=1S/C14H12N2O/c1-9-2-4-10(5-3-9)14-16-12-8-11(15)6-7-13(12)17-14/h2-8H,15H2,1H3
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n/an/an/an/a 2.91E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48186
PNG
(5-methyl-2-(4-methylphenyl)-1,3-benzoxazole | 5-me...)
Show SMILES Cc1ccc(cc1)-c1nc2cc(C)ccc2o1
Show InChI InChI=1S/C15H13NO/c1-10-3-6-12(7-4-10)15-16-13-9-11(2)5-8-14(13)17-15/h3-9H,1-2H3
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n/an/an/an/a 2.32E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48182
PNG
(2-(4-methylphenyl)-5-benzotriazolamine | 2-(4-meth...)
Show SMILES Cc1ccc(cc1)-n1nc2ccc(N)cc2n1
Show InChI InChI=1S/C13H12N4/c1-9-2-5-11(6-3-9)17-15-12-7-4-10(14)8-13(12)16-17/h2-8H,14H2,1H3
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n/an/an/an/a 1.36E+4n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48171
PNG
((5-methyl-2-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)a...)
Show SMILES Cc1cc(N)n2nc(cc2n1)-c1ccccc1
Show InChI InChI=1S/C13H12N4/c1-9-7-12(14)17-13(15-9)8-11(16-17)10-5-3-2-4-6-10/h2-8H,14H2,1H3
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n/an/an/an/a 3.44E+4n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48164
PNG
(2-(4-aminophenyl)-1,3-benzoxazol-6-amine | MLS0001...)
Show SMILES Nc1ccc(cc1)-c1nc2ccc(N)cc2o1
Show InChI InChI=1S/C13H11N3O/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H,14-15H2
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n/an/an/an/a 1.40E+4n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48156
PNG
(1,3-benzoxazol-2-yl-(4-methylpyrimidin-2-yl)amine ...)
Show SMILES Cc1ccnc(Nc2nc3ccccc3o2)n1
Show InChI InChI=1S/C12H10N4O/c1-8-6-7-13-11(14-8)16-12-15-9-4-2-3-5-10(9)17-12/h2-7H,1H3,(H,13,14,15,16)
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n/an/an/an/a 1.30E+4n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM33577
PNG
(3-(1,3-benzothiazol-2-yl)phenol | MLS000063319 | S...)
Show SMILES Oc1cccc(c1)-c1nc2ccccc2s1
Show InChI InChI=1S/C13H9NOS/c15-10-5-3-4-9(8-10)13-14-11-6-1-2-7-12(11)16-13/h1-8,15H
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n/an/an/an/a 2.99E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM48186
PNG
(5-methyl-2-(4-methylphenyl)-1,3-benzoxazole | 5-me...)
Show SMILES Cc1ccc(cc1)-c1nc2cc(C)ccc2o1
Show InChI InChI=1S/C15H13NO/c1-10-3-6-12(7-4-10)15-16-13-9-11(2)5-8-14(13)17-15/h3-9H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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n/an/an/an/a 6.75E+4n/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 Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48133
PNG
(2-methyl-6-phenyl-imidazo[2,1-b][1,3,4]thiadiazole...)
Show SMILES Cc1nn2cc(nc2s1)-c1ccccc1
Show InChI InChI=1S/C11H9N3S/c1-8-13-14-7-10(12-11(14)15-8)9-5-3-2-4-6-9/h2-7H,1H3
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n/an/an/an/a 1.23E+4n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair