BindingDB logo
myBDB logout

BDBM50115618 2-[(2-Amino-thiazol-4-yl)-(dihydroxyboranylmethyl-carbamoyl)-methyleneaminooxy]-2-methyl-propionic acid::CHEMBL324887

SMILES: CC(C)(O\N=C(\C(=O)NCB(O)O)c1csc(N)n1)C([O-])=O

InChI Key: InChIKey=ZECCQELUYUPTSB-GIDUJCDVSA-M

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 = 50115618   
Target
(Institution)
LigandTarget
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
Beta-lactamase AmpC


(Escherichia coli)
BDBM50115618
PNG
(2-[(2-Amino-thiazol-4-yl)-(dihydroxyboranylmethyl-...)
Show SMILES CC(C)(O\N=C(\C(=O)NCB(O)O)c1csc(N)n1)C([O-])=O
Show InChI InChI=1S/C10H15BN4O6S/c1-10(2,8(17)18)21-15-6(5-3-22-9(12)14-5)7(16)13-4-11(19)20/h3,19-20H,4H2,1-2H3,(H2,12,14)(H,13,16)(H,17,18)/p-1/b15-6+
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
20n/an/an/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards AmpC beta-lactamase binding site from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair