BDBM50021352 CHEMBL3287943

SMILES: CC(C)C[C@H](NC(=O)Cn1ccc2ccc(Br)cc2c1=O)B(O)O

InChI Key: InChIKey=NMDMIYLRVMRXMM-AWEZNQCLSA-N

Data: 3 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 3 hits for monomerid = 50021352   

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))	BDBM50021352 (CHEMBL3287943) Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc2ccc(Br)cc2c1=O)B(O)O |r| Show InChI InChI=1S/C16H20BBrN2O4/c1-10(2)7-14(17(23)24)19-15(21)9-20-6-5-11-3-4-12(18)8-13(11)16(20)22/h3-6,8,10,14,23-24H,7,9H2,1-2H3,(H,19,21)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	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
Alpha-chymotrypsin (Bos taurus (bovine))	BDBM50021352 (CHEMBL3287943) Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc2ccc(Br)cc2c1=O)B(O)O |r| Show InChI InChI=1S/C16H20BBrN2O4/c1-10(2)7-14(17(23)24)19-15(21)9-20-6-5-11-3-4-12(18)8-13(11)16(20)22/h3-6,8,10,14,23-24H,7,9H2,1-2H3,(H,19,21)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	290	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 bovine pancreatic alpha-chymotrypsin 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))	BDBM50021352 (CHEMBL3287943) Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc2ccc(Br)cc2c1=O)B(O)O |r| Show InChI InChI=1S/C16H20BBrN2O4/c1-10(2)7-14(17(23)24)19-15(21)9-20-6-5-11-3-4-12(18)8-13(11)16(20)22/h3-6,8,10,14,23-24H,7,9H2,1-2H3,(H,19,21)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	310	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