BDBM50298730 CHEMBL574923::benzyl(2S,5S,8S,11S,14S)-8-(4-aminobutyl)-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)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O

InChI Key: InChIKey=VSIWRHTUMVMJTL-DUSBTPNUSA-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 = 50298730   

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))	BDBM50298730 (CHEMBL574923 | benzyl(2S,5S,8S,11S,14S)-8-(4-amino...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)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/C29H46N6O9/c1-18(2)13-21(14-36)32-25(39)19(3)31-26(40)22(11-7-8-12-30)33-27(41)23(15-37)34-28(42)24(16-38)35-29(43)44-17-20-9-5-4-6-10-20/h4-6,9-10,14,18-19,21-24,37-38H,7-8,11-13,15-17,30H2,1-3H3,(H,31,40)(H,32,39)(H,33,41)(H,34,42)(H,35,43)/t19-,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	>100	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