BDBM50345624 (S)-4-acetamido-5-((S)-2-((2S,3R)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-3-hydroxy-1-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl)-5-oxopentanoic acid::CHEMBL1784771

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

InChI Key: InChIKey=FKDGBBVJGJYZSZ-WMJIZHEVSA-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 = 50345624   

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))	BDBM50345624 ((S)-4-acetamido-5-((S)-2-((2S,3R)-1-((S)-1-amino-1...) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C25H35N5O8/c1-14(31)21(24(37)28-18(22(26)35)13-16-7-4-3-5-8-16)29-23(36)19-9-6-12-30(19)25(38)17(27-15(2)32)10-11-20(33)34/h3-5,7-8,14,17-19,21,31H,6,9-13H2,1-2H3,(H2,26,35)(H,27,32)(H,28,37)(H,29,36)(H,33,34)/t14-,17+,18+,19+,21+/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