BDBM50021351 CHEMBL3287942

SMILES: COc1cc2ccn(CCC(=O)N[C@@H](CC(C)C)B(O)O)c(=O)c2cc1OC

InChI Key: InChIKey=QENHYISPYZEJBW-KRWDZBQOSA-N

Data: 2 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 2 hits for monomerid = 50021351   

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 chymotrypsin-like (Homo sapiens (Human))	BDBM50021351 (CHEMBL3287942) Show SMILES COc1cc2ccn(CCC(=O)N[C@@H](CC(C)C)B(O)O)c(=O)c2cc1OC |r| Show InChI InChI=1S/C19H27BN2O6/c1-12(2)9-17(20(25)26)21-18(23)6-8-22-7-5-13-10-15(27-3)16(28-4)11-14(13)19(22)24/h5,7,10-12,17,25-26H,6,8-9H2,1-4H3,(H,21,23)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of 20S proteasome in human erythrocytes using Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence assay				Eur J Med Chem 83: 1-14 (2014) Article DOI: 10.1016/j.ejmech.2014.06.017 BindingDB Entry DOI: 10.7270/Q2DZ09WC
					More data for this Ligand-Target Pair
Proteasome component C5 (Homo sapiens (Human))	BDBM50021351 (CHEMBL3287942) Show SMILES COc1cc2ccn(CCC(=O)N[C@@H](CC(C)C)B(O)O)c(=O)c2cc1OC |r| Show InChI InChI=1S/C19H27BN2O6/c1-12(2)9-17(20(25)26)21-18(23)6-8-22-7-5-13-10-15(27-3)16(28-4)11-14(13)19(22)24/h5,7,10-12,17,25-26H,6,8-9H2,1-4H3,(H,21,23)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of PGPH-like activity of 20S proteasome in human erythrocytes using Z-Leu-Leu-Glu-AMC as substrate by fluorescence assay				Eur J Med Chem 83: 1-14 (2014) Article DOI: 10.1016/j.ejmech.2014.06.017 BindingDB Entry DOI: 10.7270/Q2DZ09WC
					More data for this Ligand-Target Pair