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Compile Data Set for Download or QSAR

Found 4 hits of ki for UniProtKB: P0A3M1   
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
Beta-lactamase SHV-5


(Klebsiella pneumoniae)
BDBM50486725
PNG
(CHEMBL2236666)
Show SMILES [Na;v0+].[#6][C@]1([#6]-[#8]-[#6](=O)-[#6]-c2ccc(-[#8])c(-[#8])c2)[#6@@H](-[#7]-2-[#6@@H](\[#6](=[#6]/c3ccccn3)-[#6]-2=O)S1(=O)=O)-[#6](-[#8-])=O |r|
Show InChI InChI=1S/C22H20N2O9S.Na/c1-22(11-33-17(27)9-12-5-6-15(25)16(26)8-12)18(21(29)30)24-19(28)14(20(24)34(22,31)32)10-13-4-2-3-7-23-13;/h2-8,10,18,20,25-26H,9,11H2,1H3,(H,29,30);/q;+1/p-1/b14-10-;/t18-,20+,22-;/m0./s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
1.36E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Klebsiella pneumoniae beta-lactamase SHV-105


Citation and Details

Article DOI: 10.1007/s00044-011-9736-8
BindingDB Entry DOI: 10.7270/Q2NC643K
More data for this
Ligand-Target Pair
Beta-lactamase SHV-5


(Klebsiella pneumoniae)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
2.54E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Klebsiella pneumoniae beta-lactamase SHV-105


Citation and Details

Article DOI: 10.1007/s00044-011-9736-8
BindingDB Entry DOI: 10.7270/Q2NC643K
More data for this
Ligand-Target Pair
Beta-lactamase SHV-5


(Klebsiella pneumoniae)
BDBM50486724
PNG
(PENEM-1)
Show SMILES [H][C@]12SC=C(N1C(=O)\C2=C\c1cc2CSCn2n1)C(O)=O |r,c:3|
Show InChI InChI=1S/C12H9N3O3S2/c16-10-8(11-15(10)9(4-20-11)12(17)18)2-6-1-7-3-19-5-14(7)13-6/h1-2,4,11H,3,5H2,(H,17,18)/b8-2-/t11-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
2.80E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Klebsiella pneumoniae beta-lactamase SHV-105


Citation and Details

Article DOI: 10.1007/s00044-011-9736-8
BindingDB Entry DOI: 10.7270/Q2NC643K
More data for this
Ligand-Target Pair
Beta-lactamase SHV-5


(Klebsiella pneumoniae)
BDBM50486723
PNG
(PENEM-2)
Show SMILES [H][C@]12SC=C(N1C(=O)\C2=C\c1cc2CCSCn2n1)C(O)=O |r,c:3|
Show InChI InChI=1S/C13H11N3O3S2/c17-11-9(12-16(11)10(5-21-12)13(18)19)4-7-3-8-1-2-20-6-15(8)14-7/h3-5,12H,1-2,6H2,(H,18,19)/b9-4-/t12-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
1.06E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Klebsiella pneumoniae beta-lactamase SHV-105


Citation and Details

Article DOI: 10.1007/s00044-011-9736-8
BindingDB Entry DOI: 10.7270/Q2NC643K
More data for this
Ligand-Target Pair