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BDBM43825 (Z)-3-(3-chloro-2-methyl-anilino)-2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]acrylic acid methyl ester::(Z)-3-(3-chloro-2-methylanilino)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-propenoic acid methyl ester::Aminoglycosides, 3::MLS000540882::SMR000125940::cid_6511833::methyl (Z)-3-(3-chloro-2-methylanilino)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-propenoate::methyl (Z)-3-(3-chloro-2-methylanilino)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]prop-2-enoate::methyl (Z)-3-[(3-chloranyl-2-methyl-phenyl)amino]-2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]prop-2-enoate

SMILES: COC(=O)C(C=Nc1cccc(Cl)c1C)c1ncc(cc1Cl)C(F)(F)F

InChI Key: InChIKey=UMFOIUUTTZKMLD-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

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 2 hits for monomerid = 43825   
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
DNA repair protein RAD51 homolog 1


(Homo sapiens (Human))
BDBM43825
PNG
((Z)-3-(3-chloro-2-methyl-anilino)-2-[3-chloro-5-(t...)
Show SMILES COC(=O)C(C=Nc1cccc(Cl)c1C)c1ncc(cc1Cl)C(F)(F)F |w:6.6|
Show InChI InChI=1S/C17H13Cl2F3N2O2/c1-9-12(18)4-3-5-14(9)23-8-11(16(25)26-2)15-13(19)6-10(7-24-15)17(20,21)22/h3-8,11H,1-2H3
PDB
MMDB

Reactome pathway
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
Aminoacyl-tRNA synthetase


(Thermus thermophilus)
BDBM43825
PNG
((Z)-3-(3-chloro-2-methyl-anilino)-2-[3-chloro-5-(t...)
Show SMILES COC(=O)C(C=Nc1cccc(Cl)c1C)c1ncc(cc1Cl)C(F)(F)F |w:6.6|
Show InChI InChI=1S/C17H13Cl2F3N2O2/c1-9-12(18)4-3-5-14(9)23-8-11(16(25)26-2)15-13(19)6-10(7-24-15)17(20,21)22/h3-8,11H,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.00E+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