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SMILES: OC(=O)c1cc(-c2ccc(CNC(=O)c3ccc(cc3Cl)-c3ccc(o3)C(O)=O)cc2)n(n1)-c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=KMDVWGXHTUXJOW-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50443301   
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
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50443301
PNG
(CHEMBL3088231)
Show SMILES OC(=O)c1cc(-c2ccc(CNC(=O)c3ccc(cc3Cl)-c3ccc(o3)C(O)=O)cc2)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H18Cl3N3O6/c30-20-8-6-18(12-22(20)32)35-24(13-23(34-35)28(37)38)16-3-1-15(2-4-16)14-33-27(36)19-7-5-17(11-21(19)31)25-9-10-26(41-25)29(39)40/h1-13H,14H2,(H,33,36)(H,37,38)(H,39,40)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 2.90E+3n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N (1 to 120) (unknown origin) expressed in Escherichia coli BL21-DE3 cells by NMR spectroscopy


J Med Chem 56: 9242-50 (2013)


Article DOI: 10.1021/jm401333u
BindingDB Entry DOI: 10.7270/Q2B56M5D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)