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BDBM50271838 CHEMBL4127551

SMILES: Cc1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)cc1

InChI Key: InChIKey=YSXOSCYMSSJZRP-POHAHGRESA-N

Data: 1 IC50

PDB links: 6 PDB IDs match this monomer.

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 = 50271838   
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
Metallo-beta-lactamase type 2


(Bacillus cereus)
BDBM50271838
PNG
(CHEMBL4127551)
Show SMILES Cc1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)cc1
Show InChI InChI=1S/C13H11NO3S2/c1-8-2-4-9(5-3-8)6-10-12(17)14(7-11(15)16)13(18)19-10/h2-6H,7H2,1H3,(H,15,16)/b10-6-
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay


Bioorg Med Chem 26: 2928-2936 (2018)


BindingDB Entry DOI: 10.7270/Q2M61NRC
More data for this
Ligand-Target Pair