BDBM50298722 CHEMBL574868::benzyl(2S,5S,8S,11S,14S)-11-(2-amino-2-oxoethyl)-8-(4-aminobutyl)-14-formyl-1-hydroxy-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](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O

InChI Key: InChIKey=UXYLBEGTVJJYSN-LSBAASHUSA-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 = 50298722   

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))	BDBM50298722 (CHEMBL574868 | benzyl(2S,5S,8S,11S,14S)-11-(2-amin...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)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/C30H47N7O10/c1-18(2)12-20(14-38)33-27(43)22(13-25(32)41)35-26(42)21(10-6-7-11-31)34-28(44)23(15-39)36-29(45)24(16-40)37-30(46)47-17-19-8-4-3-5-9-19/h3-5,8-9,14,18,20-24,39-40H,6-7,10-13,15-17,31H2,1-2H3,(H2,32,41)(H,33,43)(H,34,44)(H,35,42)(H,36,45)(H,37,46)/t20-,21-,22-,23-,24-/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	41.9	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