BDBM50527100 CHEMBL4457363

SMILES: COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)B(O)O)c(C)c1

InChI Key: InChIKey=UEUBLENNVZVDBH-SFTDATJTSA-N

Data: 1 IC50  1 EC50

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 = 50527100   

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
ATP-dependent Clp protease proteolytic subunit (Staphylococcus aureus (strain NCTC 8325))	BDBM50527100 (CHEMBL4457363) Show SMILES COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)B(O)O)c(C)c1 |r| Show InChI InChI=1S/C23H31BN2O5/c1-15(2)12-21(24(29)30)26-23(28)20(14-17-8-6-5-7-9-17)25-22(27)19-11-10-18(31-4)13-16(19)3/h5-11,13,15,20-21,29-30H,12,14H2,1-4H3,(H,25,27)(H,26,28)/t20-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.48E+4	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of ClpP in methicillin-resistant Staphylococcus aureus ATCC 33591 assessed as reduction in bacteria-induced hemolysis of sheep erythrocyte...				J Med Chem 63: 3104-3119 (2020) Article DOI: 10.1021/acs.jmedchem.9b01746
					More data for this Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit (Staphylococcus aureus (strain NCTC 8325))	BDBM50527100 (CHEMBL4457363) Show SMILES COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)B(O)O)c(C)c1 |r| Show InChI InChI=1S/C23H31BN2O5/c1-15(2)12-21(24(29)30)26-23(28)20(14-17-8-6-5-7-9-17)25-22(27)19-11-10-18(31-4)13-16(19)3/h5-11,13,15,20-21,29-30H,12,14H2,1-4H3,(H,25,27)(H,26,28)/t20-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-sumo-tagged full length Staphylococcus aureus ClpP expressed in Escherichia coli BL2 (DE3) pre-incubated for 10 mins be...				J Med Chem 63: 3104-3119 (2020) Article DOI: 10.1021/acs.jmedchem.9b01746
					More data for this Ligand-Target Pair