BDBM37305 MLS000087114::N-[1-(4-chlorobenzyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-methoxyphenyl)isoxazole-3-carboxamide::N-[1-(4-chlorobenzyl)-5-methyl-pyrazol-3-yl]-5-(2-methoxyphenyl)isoxazole-3-carboxamide::N-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-5-(2-methoxyphenyl)-3-isoxazolecarboxamide::N-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide::N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide::SMR000023337::cid_3244603

SMILES: COc1ccccc1-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1

InChI Key: InChIKey=TYBBHDPTXSRXQF-UHFFFAOYSA-N

Data: 6 IC50

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 6 hits for monomerid = 37305   

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
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM37305 (MLS000087114 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...) Show SMILES COc1ccccc1-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C22H19ClN4O3/c1-14-11-21(25-27(14)13-15-7-9-16(23)10-8-15)24-22(28)18-12-20(30-26-18)17-5-3-4-6-19(17)29-2/h3-12H,13H2,1-2H3,(H,24,25,28)	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
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM37305 (MLS000087114 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...) Show SMILES COc1ccccc1-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C22H19ClN4O3/c1-14-11-21(25-27(14)13-15-7-9-16(23)10-8-15)24-22(28)18-12-20(30-26-18)17-5-3-4-6-19(17)29-2/h3-12H,13H2,1-2H3,(H,24,25,28)	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
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM37305 (MLS000087114 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...) Show SMILES COc1ccccc1-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C22H19ClN4O3/c1-14-11-21(25-27(14)13-15-7-9-16(23)10-8-15)24-22(28)18-12-20(30-26-18)17-5-3-4-6-19(17)29-2/h3-12H,13H2,1-2H3,(H,24,25,28)	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
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM37305 (MLS000087114 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...) Show SMILES COc1ccccc1-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C22H19ClN4O3/c1-14-11-21(25-27(14)13-15-7-9-16(23)10-8-15)24-22(28)18-12-20(30-26-18)17-5-3-4-6-19(17)29-2/h3-12H,13H2,1-2H3,(H,24,25,28)	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
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM37305 (MLS000087114 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...) Show SMILES COc1ccccc1-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C22H19ClN4O3/c1-14-11-21(25-27(14)13-15-7-9-16(23)10-8-15)24-22(28)18-12-20(30-26-18)17-5-3-4-6-19(17)29-2/h3-12H,13H2,1-2H3,(H,24,25,28)	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
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM37305 (MLS000087114 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...) Show SMILES COc1ccccc1-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C22H19ClN4O3/c1-14-11-21(25-27(14)13-15-7-9-16(23)10-8-15)24-22(28)18-12-20(30-26-18)17-5-3-4-6-19(17)29-2/h3-12H,13H2,1-2H3,(H,24,25,28)	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