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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 = 'BDBM50527118'   
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))
BDBM50527118
PNG
(CHEMBL4445494)
Show SMILES CCn1cc2cc(ccc2n1)C1CC(=NN1C(=O)CCC(O)=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:15|
Show InChI InChI=1S/C31H26ClN5O4/c1-2-36-17-20-14-19(8-10-23(20)34-36)26-16-25(35-37(26)27(38)12-13-28(39)40)30-29(18-6-4-3-5-7-18)22-15-21(32)9-11-24(22)33-31(30)41/h3-11,14-15,17,26H,2,12-13,16H2,1H3,(H,33,41)(H,39,40)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 2.80E+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