BDBM50298745 CHEMBL583786::benzyl(2S,5S,8S,11S,14S)-14-formyl-1-hydroxy-8-((R)-1-hydroxyethyl)-5-(hydroxymethyl)-11-isobutyl-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(C)C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)[C@@H](C)O)C=O

InChI Key: InChIKey=KYQCMXLNIQQQEV-GFGQVAFXSA-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 = 50298745   

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))	BDBM50298745 (CHEMBL583786 | benzyl(2S,5S,8S,11S,14S)-14-formyl-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)[C@@H](C)O)C=O |r| Show InChI InChI=1S/C30H47N5O10/c1-17(2)11-21(13-36)31-26(40)22(12-18(3)4)32-29(43)25(19(5)39)35-28(42)23(14-37)33-27(41)24(15-38)34-30(44)45-16-20-9-7-6-8-10-20/h6-10,13,17-19,21-25,37-39H,11-12,14-16H2,1-5H3,(H,31,40)(H,32,43)(H,33,41)(H,34,44)(H,35,42)/t19-,21+,22+,23+,24+,25+/m1/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	43.8	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