BDBM50345625 2-((S)-2-acetamido-3-((S)-2-((2S,3R)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-3-hydroxy-1-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl)-3-oxopropyl)malonic acid::CHEMBL1784772

SMILES: C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C(O)=O)C(O)=O)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=TUTWMQDMENZZFY-OZBNKPLUSA-N

Data: 1 IC50

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 = 50345625   

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
Breast cancer type 1 susceptibility protein (Homo sapiens (Human))	BDBM50345625 (2-((S)-2-acetamido-3-((S)-2-((2S,3R)-1-((S)-1-amin...) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C(O)=O)C(O)=O)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C26H35N5O10/c1-13(32)20(23(36)29-17(21(27)34)11-15-7-4-3-5-8-15)30-22(35)19-9-6-10-31(19)24(37)18(28-14(2)33)12-16(25(38)39)26(40)41/h3-5,7-8,13,16-20,32H,6,9-12H2,1-2H3,(H2,27,34)(H,28,33)(H,29,36)(H,30,35)(H,38,39)(H,40,41)/t13-,17+,18+,19+,20+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of BRCA1 by fluorescence polarization assay				J Med Chem 54: 4264-8 (2011) Article DOI: 10.1021/jm1016413 BindingDB Entry DOI: 10.7270/Q2RX9CD3
					More data for this Ligand-Target Pair