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SMILES: CCn1ccc2cc(ccc12)C1CC(=NN1C(C)=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O

InChI Key: InChIKey=QKIMXHJZQYNFDW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50527106   
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
DNA repair protein RAD51 homolog 1


(Homo sapiens (Human))		BDBM50527106
PNG
(CHEMBL4559865)
Show SMILES CCn1ccc2cc(ccc12)C1CC(=NN1C(C)=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:15|
Show InChI InChI=1S/C30H25ClN4O2/c1-3-34-14-13-21-15-20(9-12-26(21)34)27-17-25(33-35(27)18(2)36)29-28(19-7-5-4-6-8-19)23-16-22(31)10-11-24(23)32-30(29)37/h4-16,27H,3,17H2,1-2H3,(H,32,37)
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n/an/an/an/a 5.00E+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
More data for this
Ligand-Target Pair