BDBM37297 7-methoxy-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-4,5-dihydronaphtho[2,1-d]isoxazole-3-carboxamide::7-methoxy-N-[1-(4-methylbenzyl)pyrazol-3-yl]-4,5-dihydrobenz[g]indoxazene-3-carboxamide::7-methoxy-N-[1-[(4-methylphenyl)methyl]-3-pyrazolyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide::7-methoxy-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide::MLS000087457::SMR000023680::cid_3240939
SMILES: COc1ccc2-c3onc(C(=O)Nc4ccn(Cc5ccc(C)cc5)n4)c3CCc2c1
InChI Key: InChIKey=XPHNVYPJDBMLSD-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cathepsin G (Homo sapiens (Human)) | BDBM37297 (7-methoxy-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-4...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2QF8R8B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melanocortin receptor 4 (Homo sapiens (Human)) | BDBM37297 (7-methoxy-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-4...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >8.92E+4 | n/a | n/a | n/a | n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS... | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2QC0233 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM37297 (7-methoxy-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >9.24E+4 | n/a | n/a | n/a | n/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS... | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2KK99CT | |||||||||||
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...) | BDBM37297 (7-methoxy-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-4...) | 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...) | BDBM37297 (7-methoxy-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-4...) | 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...) | BDBM37297 (7-methoxy-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-4...) | 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...) | BDBM37297 (7-methoxy-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-4...) | 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...) | BDBM37297 (7-methoxy-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-4...) | 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...) | BDBM37297 (7-methoxy-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-4...) | 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 |