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BDBM58771 7-[4-[(3,5-dimethoxybenzoyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid::7-[4-[(3,5-dimethoxybenzoyl)thiocarbamoyl]piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid::7-[4-[(3,5-dimethoxyphenyl)carbonylcarbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid::7-[4-[[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid::MLS001075342::SMR000646428::cid_4640068

SMILES: CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1cc(OC)cc(OC)c1

InChI Key: InChIKey=ZLGOTEYFWVRMRZ-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 58771   
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
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM58771
PNG
(7-[4-[(3,5-dimethoxybenzoyl)carbamothioyl]piperazi...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C26H27FN4O6S/c1-4-29-14-19(25(34)35)23(32)18-12-20(27)22(13-21(18)29)30-5-7-31(8-6-30)26(38)28-24(33)15-9-16(36-2)11-17(10-15)37-3/h9-14H,4-8H2,1-3H3,(H,34,35)(H,28,33,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM58771
PNG
(7-[4-[(3,5-dimethoxybenzoyl)carbamothioyl]piperazi...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C26H27FN4O6S/c1-4-29-14-19(25(34)35)23(32)18-12-20(27)22(13-21(18)29)30-5-7-31(8-6-30)26(38)28-24(33)15-9-16(36-2)11-17(10-15)37-3/h9-14H,4-8H2,1-3H3,(H,34,35)(H,28,33,38)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>8.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM58771
PNG
(7-[4-[(3,5-dimethoxybenzoyl)carbamothioyl]piperazi...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C26H27FN4O6S/c1-4-29-14-19(25(34)35)23(32)18-12-20(27)22(13-21(18)29)30-5-7-31(8-6-30)26(38)28-24(33)15-9-16(36-2)11-17(10-15)37-3/h9-14H,4-8H2,1-3H3,(H,34,35)(H,28,33,38)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.47E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair