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BDBM51534 (2-oxidanylideneoxolan-3-yl) 1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate::(2-oxooxolan-3-yl) 1-(4-fluorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carboxylate::1-(4-fluorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid (2-oxo-3-oxolanyl) ester::1-(4-fluorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid (2-ketotetrahydrofuran-3-yl) ester::MLS000058712::SMR000067217::cid_2999178

SMILES: Cc1nn(-c2ccc(F)cc2)c2sc(cc12)C(=O)OC1CCOC1=O

InChI Key: InChIKey=NZSWRFJIZIXLGX-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 51534   
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
dTDP-4-dehydrorhamnose 3,5-epimerase RmlC


(Mycobacterium tuberculosis H37Rv)
BDBM51534
PNG
((2-oxidanylideneoxolan-3-yl) 1-(4-fluorophenyl)-3-...)
Show SMILES Cc1nn(-c2ccc(F)cc2)c2sc(cc12)C(=O)OC1CCOC1=O
Show InChI InChI=1S/C17H13FN2O4S/c1-9-12-8-14(17(22)24-13-6-7-23-16(13)21)25-15(12)20(19-9)11-4-2-10(18)3-5-11/h2-5,8,13H,6-7H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.57E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State Universi...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TD9VRT
More data for this
Ligand-Target Pair