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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 = 'BDBM50527122'   
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))
BDBM50527122
PNG
(CHEMBL4574565)
Show SMILES OC(=O)CCC(=O)N1N=C(CC1c1ccc(cc1)-c1ccc(F)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8|
Show InChI InChI=1S/C34H25ClFN3O4/c35-24-12-15-27-26(18-24)32(23-4-2-1-3-5-23)33(34(43)37-27)28-19-29(39(38-28)30(40)16-17-31(41)42)22-8-6-20(7-9-22)21-10-13-25(36)14-11-21/h1-15,18,29H,16-17,19H2,(H,37,43)(H,41,42)
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MMDB

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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 1.30E+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