BDBM50298758 (5S,8S,11S,14S,17R)-11-(4-aminobutyl)-5,8-bis(hydroxymethyl)-14-isobutyl-4,7,10,19-tetramethyl-3,6,9,12,15-pentaoxo-1-phenyl-2-oxa-4,7,10,13,16-pentaazaicosan-17-ylboronic acid::CHEMBL574678

SMILES: CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)N(C)C(=O)[C@H](CO)N(C)C(=O)[C@H](CO)N(C)C(=O)OCc1ccccc1)B(O)O

InChI Key: InChIKey=QGHYAXAPQBEMBQ-ZIUUJSQJSA-N

Data: 1 KI

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 = 50298758   

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
Prostate specific antigen (Homo sapiens (Human))	BDBM50298758 ((5S,8S,11S,14S,17R)-11-(4-aminobutyl)-5,8-bis(hydr...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)N(C)C(=O)[C@H](CO)N(C)C(=O)[C@H](CO)N(C)C(=O)OCc1ccccc1)B(O)O |r| Show InChI InChI=1S/C34H59BN6O10/c1-22(2)17-25(30(44)38-29(35(49)50)18-23(3)4)37-31(45)26(15-11-12-16-36)39(5)32(46)27(19-42)40(6)33(47)28(20-43)41(7)34(48)51-21-24-13-9-8-10-14-24/h8-10,13-14,22-23,25-29,42-43,49-50H,11-12,15-21,36H2,1-7H3,(H,37,45)(H,38,44)/t25-,26-,27-,28-,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay				Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49
					More data for this Ligand-Target Pair