BDBM41557 5-tert-butyl-N-[1-(3-fluorobenzyl)pyrazol-4-yl]indoxazene-3-carboxamide::5-tert-butyl-N-[1-[(3-fluorophenyl)methyl]-4-pyrazolyl]-1,2-benzoxazole-3-carboxamide::5-tert-butyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-benzoxazole-3-carboxamide::AB00538137::cid_16740893
SMILES: CC(C)(C)c1ccc2onc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)c2c1
InChI Key: InChIKey=ZWAOVSSTGFGUKQ-UHFFFAOYSA-N
Data: 1 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 |
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Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM41557 (5-tert-butyl-N-[1-(3-fluorobenzyl)pyrazol-4-yl]ind...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 0.640 | 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 (2007) BindingDB Entry DOI: 10.7270/Q2FX77T8 | |||||||||||
More data for this Ligand-Target Pair |