BDBM50345638 (2R,5R,8R,11R)-11-benzyl-2-carbamoyl-8-((S)-1-hydroxyethyl)-5-methyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazatetradecyl dihydrogen phosphate::CHEMBL1784782

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

InChI Key: InChIKey=WZJFYJAFGBGTOP-QMWOBKFGSA-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 = 50345638   

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))	BDBM50345638 ((2R,5R,8R,11R)-11-benzyl-2-carbamoyl-8-((S)-1-hydr...) Show SMILES C[C@H](O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@H](C)C(=O)N[C@H](COP(O)(O)=O)C(N)=O |r| Show InChI InChI=1S/C21H32N5O10P/c1-11(19(30)25-16(18(22)29)10-36-37(33,34)35)23-21(32)17(12(2)27)26-20(31)15(24-13(3)28)9-14-7-5-4-6-8-14/h4-8,11-12,15-17,27H,9-10H2,1-3H3,(H2,22,29)(H,23,32)(H,24,28)(H,25,30)(H,26,31)(H2,33,34,35)/t11-,12+,15-,16-,17-/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	>2.50E+5	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