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SMILES: CC(=O)N1N=C(CC1c1ccc(cc1)C(C)(C)C)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O

InChI Key: InChIKey=VUVWSNUZVPGUER-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50527114   
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))		BDBM50527114
PNG
(CHEMBL4572566)
Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(C)(C)C)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:4|
Show InChI InChI=1S/C30H28ClN3O2/c1-18(35)34-26(19-10-12-21(13-11-19)30(2,3)4)17-25(33-34)28-27(20-8-6-5-7-9-20)23-16-22(31)14-15-24(23)32-29(28)36/h5-16,26H,17H2,1-4H3,(H,32,36)
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n/an/an/an/a 1.50E+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