BDBM37307 5-(4-fluorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]isoxazole-3-carboxamide::5-(4-fluorophenyl)-N-[1-(4-methylbenzyl)pyrazol-3-yl]isoxazole-3-carboxamide::5-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-3-pyrazolyl]-3-isoxazolecarboxamide::5-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide::MLS000087003::SMR000023226::cid_3244953
SMILES: Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccc(F)cc3)n2)cc1
InChI Key: InChIKey=SVCPXVIYKNVQFL-UHFFFAOYSA-N
Data: 6 IC50
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM37307 (5-(4-fluorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazo...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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 (2006) BindingDB Entry DOI: 10.7270/Q2TM78HZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM37307 (5-(4-fluorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazo...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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 (2006) BindingDB Entry DOI: 10.7270/Q2TM78HZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM37307 (5-(4-fluorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazo...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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 (2006) BindingDB Entry DOI: 10.7270/Q2TM78HZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM37307 (5-(4-fluorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazo...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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 (2006) BindingDB Entry DOI: 10.7270/Q2TM78HZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM37307 (5-(4-fluorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazo...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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 (2006) BindingDB Entry DOI: 10.7270/Q2TM78HZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM37307 (5-(4-fluorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazo...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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 (2006) BindingDB Entry DOI: 10.7270/Q2TM78HZ | |||||||||||
More data for this Ligand-Target Pair |