BindingDB logo
myBDB logout

BDBM50518882 CHEMBL4471138

SMILES: OB(O)[C@@H](Cc1coc2ccccc12)NC(=O)CS

InChI Key: InChIKey=GJIFDHQPJZOHPL-LLVKDONJSA-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 = 50518882   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Bacterial beta-lactamase TEM


(Escherichia coli)		BDBM50518882
PNG
(CHEMBL4471138)
Show SMILES OB(O)[C@@H](Cc1coc2ccccc12)NC(=O)CS |r|
Show InChI InChI=1S/C12H14BNO4S/c15-12(7-19)14-11(13(16)17)5-8-6-18-10-4-2-1-3-9(8)10/h1-4,6,11,16-17,19H,5,7H2,(H,14,15)/t11-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 6.84E+3n/an/an/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...

J Med Chem 62: 7160-7184 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00735
More data for this
Ligand-Target Pair