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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA repair protein RAD51 homolog 1' and Ligand = 'BDBM50527125'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50527125
PNG
(CHEMBL4444995)
Show SMILES CCC(=O)N1N=C(CC1c1ccc(Br)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:5|
Show InChI InChI=1S/C27H21BrClN3O2/c1-2-24(33)32-23(16-8-10-18(28)11-9-16)15-22(31-32)26-25(17-6-4-3-5-7-17)20-14-19(29)12-13-21(20)30-27(26)34/h3-14,23H,2,15H2,1H3,(H,30,34)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.90E+4n/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of biotinylated BRC4 peptide binding to His-tagged human RAD51 expressed in Escherichia coli Rosetta(DE3) pLysS cells assessed as BRC4-RAD...


J Med Chem 63: 2588-2619 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01526
BindingDB Entry DOI: 10.7270/Q2SF30MF
More data for this
Ligand-Target Pair