BDBM65519 F0665-0303::N-cyclopentyl-2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-phenethyl-4H-1,2,4-triazol-3-yl)thio)acetamide

SMILES: O=C(CSc1nnc(Cn2c3ccccc3sc2=O)n1CCc1ccccc1)NC1CCCC1

InChI Key: InChIKey=KPRSCCWPZJDAKY-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 65519   

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))	BDBM65519 (F0665-0303 | N-cyclopentyl-2-((5-((2-oxobenzo[d]th...) Show SMILES O=C(CSc1nnc(Cn2c3ccccc3sc2=O)n1CCc1ccccc1)NC1CCCC1 Show InChI InChI=1S/C25H27N5O2S2/c31-23(26-19-10-4-5-11-19)17-33-24-28-27-22(29(24)15-14-18-8-2-1-3-9-18)16-30-20-12-6-7-13-21(20)34-25(30)32/h1-3,6-9,12-13,19H,4-5,10-11,14-17H2,(H,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.30E+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
RAD51-BRCA2 BRC repeat complex (Homo sapiens (Human))	BDBM65519 (F0665-0303 | N-cyclopentyl-2-((5-((2-oxobenzo[d]th...) Show SMILES O=C(CSc1nnc(Cn2c3ccccc3sc2=O)n1CCc1ccccc1)NC1CCCC1 Show InChI InChI=1S/C25H27N5O2S2/c31-23(26-19-10-4-5-11-19)17-33-24-28-27-22(29(24)15-14-18-8-2-1-3-9-18)16-30-20-12-6-7-13-21(20)34-25(30)32/h1-3,6-9,12-13,19H,4-5,10-11,14-17H2,(H,26,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a
Istituto Italiano di Tecnologia					Assay Description This assay is an efficient tool for directly measuring inhibition of the BRC4−Rad51 interaction, at a molecular level, which is described by Ra...				ACS Chem Biol 12: 2491-2497 (2017) Article DOI: 10.1021/acschembio.7b00707 BindingDB Entry DOI: 10.7270/Q2WS8RD4
					More data for this Ligand-Target Pair