BDBM50298721 CHEMBL574927::benzyl(2S,5S,8S,11S,14S)-8-(4-aminobutyl)-14-formyl-1-hydroxy-5-(hydroxymethyl)-16-methyl-11-((S)-2-methylbutyl)-3,6,9,12-tetraoxo-4,7,10,13-tetraazaheptadecan-2-ylcarbamate

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

InChI Key: InChIKey=RHLPMGNHGCJBTH-LSXSSXCESA-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 = 50298721   

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))	BDBM50298721 (CHEMBL574927 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...) Show SMILES CC[C@H](C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C=O |r| Show InChI InChI=1S/C33H54N6O9/c1-5-22(4)16-26(30(44)35-24(17-40)15-21(2)3)37-29(43)25(13-9-10-14-34)36-31(45)27(18-41)38-32(46)28(19-42)39-33(47)48-20-23-11-7-6-8-12-23/h6-8,11-12,17,21-22,24-28,41-42H,5,9-10,13-16,18-20,34H2,1-4H3,(H,35,44)(H,36,45)(H,37,43)(H,38,46)(H,39,47)/t22-,24-,25-,26-,27-,28-/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	37.4	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