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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metallo-beta-lactamase L1 type 3' and Ligand = 'BDBM50191987'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50191987
PNG
(6-((1-((R)-1-carboxy-2-phenylethylamino)-4-mercapt...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(CCS)NC(=O)c1cccc(n1)C(O)=O
Show InChI InChI=1S/C20H21N3O6S/c24-17(13-7-4-8-15(21-13)19(26)27)22-14(9-10-30)18(25)23-16(20(28)29)11-12-5-2-1-3-6-12/h1-8,14,16,30H,9-11H2,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/t14?,16-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
120n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase


Bioorg Med Chem Lett 16: 5169-75 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.001
BindingDB Entry DOI: 10.7270/Q2WQ03DJ
More data for this
Ligand-Target Pair
Metallo-beta-lactamase L1 type 3


(Stenotrophomonas maltophilia)
BDBM50191987
PNG
(6-((1-((R)-1-carboxy-2-phenylethylamino)-4-mercapt...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(CCS)NC(=O)c1cccc(n1)C(O)=O
Show InChI InChI=1S/C20H21N3O6S/c24-17(13-7-4-8-15(21-13)19(26)27)22-14(9-10-30)18(25)23-16(20(28)29)11-12-5-2-1-3-6-12/h1-8,14,16,30H,9-11H2,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/t14?,16-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
120n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase


Bioorg Med Chem Lett 16: 5169-75 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.001
BindingDB Entry DOI: 10.7270/Q2WQ03DJ
More data for this
Ligand-Target Pair