BDBM50345636 (S)-2-acetamido-3-((S)-1-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-1-oxopropan-2-ylamino)-1-oxopropan-2-ylamino)-3-oxopropyl dihydrogen phosphate::CHEMBL1784780

SMILES: C[C@H](NC(=O)[C@H](COP(O)(O)=O)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=DEUUAYYUCBSPIE-APYUEPQZSA-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 = 50345636   

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))	BDBM50345636 ((S)-2-acetamido-3-((S)-1-((S)-1-((S)-1-amino-1-oxo...) Show SMILES C[C@H](NC(=O)[C@H](COP(O)(O)=O)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C20H30N5O9P/c1-11(23-20(30)16(24-13(3)26)10-34-35(31,32)33)18(28)22-12(2)19(29)25-15(17(21)27)9-14-7-5-4-6-8-14/h4-8,11-12,15-16H,9-10H2,1-3H3,(H2,21,27)(H,22,28)(H,23,30)(H,24,26)(H,25,29)(H2,31,32,33)/t11-,12-,15-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.84E+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