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BDBM37300 MLS000087231::N-[1-(4-chlorobenzyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-furyl)isoxazole-3-carboxamide::N-[1-(4-chlorobenzyl)-5-methyl-pyrazol-3-yl]-5-(2-furyl)isoxazole-3-carboxamide::N-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-5-(2-furanyl)-3-isoxazolecarboxamide::N-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide::N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide::SMR000023454::cid_3242024

SMILES: Cc1cc(NC(=O)c2cc(on2)-c2ccco2)nn1Cc1ccc(Cl)cc1

InChI Key: InChIKey=PWDSELPZWJIILT-UHFFFAOYSA-N

Data: 6 IC50  1 EC50

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 7 hits for monomerid = 37300   
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
LANA


(Human herpesvirus 8)
BDBM37300
PNG
(MLS000087231 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2cc(on2)-c2ccco2)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN4O3/c1-12-9-18(22-24(12)11-13-4-6-14(20)7-5-13)21-19(25)15-10-17(27-23-15)16-3-2-8-26-16/h2-10H,11H2,1H3,(H,21,22,25)
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n/an/an/an/a>7.50E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
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...)
BDBM37300
PNG
(MLS000087231 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2cc(on2)-c2ccco2)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN4O3/c1-12-9-18(22-24(12)11-13-4-6-14(20)7-5-13)21-19(25)15-10-17(27-23-15)16-3-2-8-26-16/h2-10H,11H2,1H3,(H,21,22,25)
PDB
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KEGG

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UniChem

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n/an/a>1.00E+5n/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 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...)
BDBM37300
PNG
(MLS000087231 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2cc(on2)-c2ccco2)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN4O3/c1-12-9-18(22-24(12)11-13-4-6-14(20)7-5-13)21-19(25)15-10-17(27-23-15)16-3-2-8-26-16/h2-10H,11H2,1H3,(H,21,22,25)
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KEGG

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n/an/a>1.00E+5n/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 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...)
BDBM37300
PNG
(MLS000087231 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2cc(on2)-c2ccco2)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN4O3/c1-12-9-18(22-24(12)11-13-4-6-14(20)7-5-13)21-19(25)15-10-17(27-23-15)16-3-2-8-26-16/h2-10H,11H2,1H3,(H,21,22,25)
PDB
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KEGG

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n/an/a>1.00E+5n/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 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...)
BDBM37300
PNG
(MLS000087231 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2cc(on2)-c2ccco2)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN4O3/c1-12-9-18(22-24(12)11-13-4-6-14(20)7-5-13)21-19(25)15-10-17(27-23-15)16-3-2-8-26-16/h2-10H,11H2,1H3,(H,21,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>1.00E+5n/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 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...)
BDBM37300
PNG
(MLS000087231 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2cc(on2)-c2ccco2)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN4O3/c1-12-9-18(22-24(12)11-13-4-6-14(20)7-5-13)21-19(25)15-10-17(27-23-15)16-3-2-8-26-16/h2-10H,11H2,1H3,(H,21,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>1.00E+5n/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 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...)
BDBM37300
PNG
(MLS000087231 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2cc(on2)-c2ccco2)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN4O3/c1-12-9-18(22-24(12)11-13-4-6-14(20)7-5-13)21-19(25)15-10-17(27-23-15)16-3-2-8-26-16/h2-10H,11H2,1H3,(H,21,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.00E+5n/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 C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair