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BDBM50132835 (S)-2-[(3-Bromo-benzyl)-(2,4-dichloro-phenyl)-amino]-3-phenyl-propionic acid::CHEMBL113973

SMILES: OC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)c1ccc(Cl)cc1Cl

InChI Key: InChIKey=XMMKWKCRNSDLHZ-NRFANRHFSA-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 = 50132835   
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
Genome polyprotein


(Hepatitis C virus (HCV))
BDBM50132835
PNG
((S)-2-[(3-Bromo-benzyl)-(2,4-dichloro-phenyl)-amin...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H18BrCl2NO2/c23-17-8-4-7-16(11-17)14-26(20-10-9-18(24)13-19(20)25)21(22(27)28)12-15-5-2-1-3-6-15/h1-11,13,21H,12,14H2,(H,27,28)/t21-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Shire BioChem Inc.

Curated by ChEMBL


Assay Description
Inhibition of Hepatitis C RNA dependent RNA polymerase Nonstructural protein 5B activity.


Bioorg Med Chem Lett 13: 3341-4 (2003)


BindingDB Entry DOI: 10.7270/Q2JD4W6P
More data for this
Ligand-Target Pair