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SMILES: COc1ccc(cc1)-c1ccc(cc1)C1CC(=NN1C(C)=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O

InChI Key: InChIKey=BMZWJRCKOKXBGT-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50527120   
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))		BDBM50527120
PNG
(CHEMBL4533313)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)C1CC(=NN1C(C)=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:18|
Show InChI InChI=1S/C33H26ClN3O3/c1-20(38)37-30(23-10-8-21(9-11-23)22-12-15-26(40-2)16-13-22)19-29(36-37)32-31(24-6-4-3-5-7-24)27-18-25(34)14-17-28(27)35-33(32)39/h3-18,30H,19H2,1-2H3,(H,35,39)
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n/an/an/an/a 7.00E+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