BDBM50536930 CHEMBL4540385

SMILES: O=C(CSc1nnc(Cn2c3ccccc3sc2=O)n1CCCc1ccccc1)NC1CCC1

InChI Key: InChIKey=UOKRJXVTLJCSOQ-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 = 50536930   

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))	BDBM50536930 (CHEMBL4540385) Show SMILES O=C(CSc1nnc(Cn2c3ccccc3sc2=O)n1CCCc1ccccc1)NC1CCC1 Show InChI InChI=1S/C25H27N5O2S2/c31-23(26-19-11-6-12-19)17-33-24-28-27-22(29(24)15-7-10-18-8-2-1-3-9-18)16-30-20-13-4-5-14-21(20)34-25(30)32/h1-5,8-9,13-14,19H,6-7,10-12,15-17H2,(H,26,31)	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	4.20E+4	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Displacement of N-terminal biotinylated-BRC4 from recombinant human Rad51 expressed in Escherichia coli by ELISA				Eur J Med Chem 165: 80-92 (2019) Article DOI: 10.1016/j.ejmech.2019.01.008
					More data for this Ligand-Target Pair