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BDBM43830 5-(amoxymethyl)-3-[2-[(4-phenylthiazol-2-yl)hydrazono]propyl]tetrahydrofuran-2-one::5-(pentoxymethyl)-3-[2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propyl]oxolan-2-one::5-(pentoxymethyl)-3-[2-[(4-phenyl-2-thiazolyl)hydrazinylidene]propyl]-2-oxolanone::5-Pentyloxymethyl-3-{2-[(4-phenyl-thiazol-2-yl)-hydrazono]-propyl}-dihydro-furan-2-one::Glucosamine derivative, 3::MLS000557649::SMR000174499::cid_2865032

SMILES: CCCCCOCC1CC(CC(C)N=Nc2nc(cs2)-c2ccccc2)C(=O)O1

InChI Key: InChIKey=MZDDHFAEDSOAAM-UHFFFAOYSA-N

Data: 1 KI  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 43830   
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
Phosphotransferase


(Trypanosoma brucei)
BDBM43830
PNG
(5-(amoxymethyl)-3-[2-[(4-phenylthiazol-2-yl)hydraz...)
Show SMILES CCCCCOCC1CC(CC(C)N=Nc2nc(cs2)-c2ccccc2)C(=O)O1 |w:13.12|
Show InChI InChI=1S/C22H29N3O3S/c1-3-4-8-11-27-14-19-13-18(21(26)28-19)12-16(2)24-25-22-23-20(15-29-22)17-9-6-5-7-10-17/h5-7,9-10,15-16,18-19H,3-4,8,11-14H2,1-2H3
KEGG

UniProtKB/TrEMBL

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AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.05E+5 -5.42 4.50E+6n/an/an/an/an/a25



Groupe de Chimie Organique Biologique, Laboratoire Synthése Physico-Chimie des Molécules d'Inérêt Biologique



Assay Description
Competitive inhibition assay for glucosamine derivatives on hexokinase from trypanosoma brucei. The inhibition of hexokinase by compounds was measur...


Chem Biol 9: 839-47 (2002)


Article DOI: 10.1016/S1074-5521(02)00169-2
BindingDB Entry DOI: 10.7270/Q2MC8XF1
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens (Human))
BDBM43830
PNG
(5-(amoxymethyl)-3-[2-[(4-phenylthiazol-2-yl)hydraz...)
Show SMILES CCCCCOCC1CC(CC(C)N=Nc2nc(cs2)-c2ccccc2)C(=O)O1 |w:13.12|
Show InChI InChI=1S/C22H29N3O3S/c1-3-4-8-11-27-14-19-13-18(21(26)28-19)12-16(2)24-25-22-23-20(15-29-22)17-9-6-5-7-10-17/h5-7,9-10,15-16,18-19H,3-4,8,11-14H2,1-2H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.50E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BV7F1T
More data for this
Ligand-Target Pair