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BDBM43824 Aminoglycosides, 2::MLS000533892::N-[(E)-N''''-(1,3-benzothiazol-2-yl)amidino]-3-methyl-butyramide::N-[(E)-N''''-(1,3-benzothiazol-2-yl)carbamimidoyl]-3-methyl-butanamide::N-[(E)-N''''-(1,3-benzothiazol-2-yl)carbamimidoyl]-3-methylbutanamide::N-[(E)-N''-(1,3-benzothiazol-2-yl)amidino]-3-methyl-butyramide::N-[(E)-N'-(1,3-benzothiazol-2-yl)amidino]-3-methyl-butyramide::N-[(E)-amino(1,3-benzothiazol-2-ylimino)methyl]-3-methylbutanamide::N-[amino(1,3-benzothiazol-2-ylamino)methylene]-3-methylbutanamide::SMR000141329::cid_9551574

SMILES: CC(C)CC(=O)NC(N)=Nc1nc2ccccc2s1

InChI Key: InChIKey=QEZKNEHWQLCNBC-UHFFFAOYSA-N

Data: 1 IC50  1 Kd  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 43824   
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
Aminoacyl-tRNA synthetase


(Thermus thermophilus)
BDBM43824
PNG
(Aminoglycosides, 2 | MLS000533892 | N-[(E)-N''''-(...)
Show SMILES CC(C)CC(=O)NC(N)=Nc1nc2ccccc2s1 |w:9.9|
Show InChI InChI=1S/C13H16N4OS/c1-8(2)7-11(18)16-12(14)17-13-15-9-5-3-4-6-10(9)19-13/h3-6,8H,7H2,1-2H3,(H3,14,15,16,17,18)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.30E+6n/an/an/a7.50



Wayne State University



Assay Description
Binding assay of Aminoglycoside antibiotics and kanamycin A derivatives for the bacterial A site RNA.


Chem Biol 9: 455-63 (2002)


Article DOI: 10.1016/S1074-5521(02)00125-4
BindingDB Entry DOI: 10.7270/Q2R49P66
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens (Human))
BDBM43824
PNG
(Aminoglycosides, 2 | MLS000533892 | N-[(E)-N''''-(...)
Show SMILES CC(C)CC(=O)NC(N)=Nc1nc2ccccc2s1 |w:9.9|
Show InChI InChI=1S/C13H16N4OS/c1-8(2)7-11(18)16-12(14)17-13-15-9-5-3-4-6-10(9)19-13/h3-6,8H,7H2,1-2H3,(H3,14,15,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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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
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM43824
PNG
(Aminoglycosides, 2 | MLS000533892 | N-[(E)-N''''-(...)
Show SMILES CC(C)CC(=O)NC(N)=Nc1nc2ccccc2s1 |w:9.9|
Show InChI InChI=1S/C13H16N4OS/c1-8(2)7-11(18)16-12(14)17-13-15-9-5-3-4-6-10(9)19-13/h3-6,8H,7H2,1-2H3,(H3,14,15,16,17,18)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 762n/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 (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair