BDBM50527125 CHEMBL4444995

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

InChI Key: InChIKey=PLQPZKCOFKKKIV-UHFFFAOYSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50527125   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human))	BDBM50527125 (CHEMBL4444995) Show SMILES CCC(=O)N1N=C(CC1c1ccc(Br)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:5| Show InChI InChI=1S/C27H21BrClN3O2/c1-2-24(33)32-23(16-8-10-18(28)11-9-16)15-22(31-32)26-25(17-6-4-3-5-7-17)20-14-19(29)12-13-21(20)30-27(26)34/h3-14,23H,2,15H2,1H3,(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/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