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BDBM41548 AB00514735::N-[1-(4-fluorobenzyl)pyrazol-4-yl]-5-phenyl-indoxazene-3-carboxamide::N-[1-[(4-fluorophenyl)methyl]-4-pyrazolyl]-5-phenyl-1,2-benzoxazole-3-carboxamide::N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-phenyl-1,2-benzoxazole-3-carboxamide::cid_16740884

SMILES: Fc1ccc(Cn2cc(NC(=O)c3noc4ccc(cc34)-c3ccccc3)cn2)cc1

InChI Key: InChIKey=IKGQVQPBHGCYQO-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 41548   
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
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM41548
PNG
(AB00514735 | N-[1-(4-fluorobenzyl)pyrazol-4-yl]-5-...)
Show SMILES Fc1ccc(Cn2cc(NC(=O)c3noc4ccc(cc34)-c3ccccc3)cn2)cc1
Show InChI InChI=1S/C24H17FN4O2/c25-19-9-6-16(7-10-19)14-29-15-20(13-26-29)27-24(30)23-21-12-18(8-11-22(21)31-28-23)17-4-2-1-3-5-17/h1-13,15H,14H2,(H,27,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 108n/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 (2007)


BindingDB Entry DOI: 10.7270/Q2FX77T8
More data for this
Ligand-Target Pair