BDBM50298726 CHEMBL574895::benzyl(2S,5S,8S,11S,14S)-8-(4-aminobutyl)-10-cyclohexyl-14-formyl-1-hydroxy-5-(hydroxymethyl)-11,16-dimethyl-3,6,9,12-tetraoxo-4,7,10,13-tetraazaheptadecan-2-ylcarbamate

SMILES: CC(C)C[C@H](NC(=O)[C@H](C)N(C1CCCCC1)C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O

InChI Key: InChIKey=WCPLSZJWGZVWDQ-RKHRJCDKSA-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 = 50298726   

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))	BDBM50298726 (CHEMBL574895 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)N(C1CCCCC1)C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C35H56N6O9/c1-23(2)18-26(19-42)37-31(45)24(3)41(27-14-8-5-9-15-27)34(48)28(16-10-11-17-36)38-32(46)29(20-43)39-33(47)30(21-44)40-35(49)50-22-25-12-6-4-7-13-25/h4,6-7,12-13,19,23-24,26-30,43-44H,5,8-11,14-18,20-22,36H2,1-3H3,(H,37,45)(H,38,46)(H,39,47)(H,40,49)/t24-,26-,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	>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
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