BDBM50531827 CHEMBL4452330

SMILES: COc1ccc(NC(=O)N2CCN(CC2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)cc1

InChI Key: InChIKey=XDCSOEDNLXDNQZ-CQMLEQORSA-N

Data: 1 IC50

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 = 50531827   

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
20S proteasome (Homo sapiens (Human))	BDBM50531827 (CHEMBL4452330) Show SMILES COc1ccc(NC(=O)N2CCN(CC2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)cc1 |r| Show InChI InChI=1S/C37H52N6O7/c1-24(2)20-29(32(44)37(5)23-50-37)39-34(46)31(22-26-10-8-7-9-11-26)40-33(45)30(21-25(3)4)41-36(48)43-18-16-42(17-19-43)35(47)38-27-12-14-28(49-6)15-13-27/h7-15,24-25,29-31H,16-23H2,1-6H3,(H,38,47)(H,39,46)(H,40,45)(H,41,48)/t29-,30-,31-,37+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Hangzhou Institute of Innovative Medicine Curated by ChEMBL					Assay Description Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition				Eur J Med Chem 164: 602-614 (2019) Article DOI: 10.1016/j.ejmech.2018.12.064
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