BDBM50434153 CHEMBL2381668

SMILES: CCCC[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](CCCBr)B(O)O

InChI Key: InChIKey=VTZSBRPESADVJC-KFEALIJWSA-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 = 50434153   

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))	BDBM50434153 (CHEMBL2381668) Show SMILES CCCC[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](CCCBr)B(O)O |r| Show InChI InChI=1S/C30H50BBrN6O10/c1-2-3-12-21(27(42)38-25(31(46)47)14-9-15-32)34-26(41)22(13-7-8-16-33)35-28(43)23(17-39)36-29(44)24(18-40)37-30(45)48-19-20-10-5-4-6-11-20/h4-6,10-11,21-25,39-40,46-47H,2-3,7-9,12-19,33H2,1H3,(H,34,41)(H,35,43)(H,36,44)(H,37,45)(H,38,42)/t21-,22-,23-,24-,25+/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	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human seminal fluid PSA using Mu-SRKSQQY-AMC as substrate measured for 30 mins by fluorescence assay				J Med Chem 56: 4224-35 (2013) Article DOI: 10.1021/jm301718c BindingDB Entry DOI: 10.7270/Q2V69KZF
					More data for this Ligand-Target Pair