BDBM50298716 CHEMBL574792::benzyl(2S,5S,8S,11S,14S)-8-(4-aminobutyl)-14-formyl-1-hydroxy-11-(4-hydroxybenzyl)-5-(hydroxymethyl)-16-methyl-3,6,9,12-tetraoxo-4,7,10,13-tetraazaheptadecan-2-ylcarbamate

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O

InChI Key: InChIKey=IXQCZIVLSOBMOY-BJNPORTCSA-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 = 50298716   

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))	BDBM50298716 (CHEMBL574792 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C35H50N6O10/c1-22(2)16-25(18-42)37-32(47)28(17-23-11-13-26(45)14-12-23)39-31(46)27(10-6-7-15-36)38-33(48)29(19-43)40-34(49)30(20-44)41-35(50)51-21-24-8-4-3-5-9-24/h3-5,8-9,11-14,18,22,25,27-30,43-45H,6-7,10,15-17,19-21,36H2,1-2H3,(H,37,47)(H,38,48)(H,39,46)(H,40,49)(H,41,50)/t25-,27-,28-,29-,30-/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	13.1	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