BDBM37301 MLS000087404::N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide::N-[1-(4-methylbenzyl)pyrazol-3-yl]-5,6,7,8-tetrahydro-4H-cyclohept[d]isoxazole-3-carboxamide::N-[1-[(4-methylphenyl)methyl]-3-pyrazolyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide::N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide::SMR000023627::cid_3242754

SMILES Cc1ccc(Cn2ccc(NC(=O)c3noc4CCCCCc34)n2)cc1

InChI Key InChIKey=QOEZQZACWCYCAQ-UHFFFAOYSA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 37301   

TargetPantothenate synthetase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM37301(N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-5,6,7,8-tet...)
Affinity DataIC50: 1.00E+5nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/28/2011
Entry Details
PCBioAssay
TargetPantothenate synthetase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM37301(N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-5,6,7,8-tet...)
Affinity DataIC50: 1.00E+5nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/28/2011
Entry Details
PCBioAssay
TargetPantothenate synthetase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM37301(N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-5,6,7,8-tet...)
Affinity DataIC50: 1.00E+5nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/28/2011
Entry Details
PCBioAssay
TargetPantothenate synthetase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM37301(N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-5,6,7,8-tet...)
Affinity DataIC50: 1.00E+5nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/28/2011
Entry Details
PCBioAssay
TargetPantothenate synthetase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM37301(N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-5,6,7,8-tet...)
Affinity DataIC50: 1.00E+5nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/28/2011
Entry Details
PCBioAssay
TargetPantothenate synthetase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM37301(N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-5,6,7,8-tet...)
Affinity DataIC50: 1.00E+5nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/28/2011
Entry Details
PCBioAssay