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SMILES: COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)OCc2ccccc2)cc1

InChI Key: InChIKey=LBVMNSWANINHPA-PSXMRANNSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 367893   
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


(Serratia marcescens)
BDBM367893
PNG
((R)-benzyl tert-butyl (3-((2- (N,N-bis(4- methoxyb...)
Show SMILES COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)OCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C47H52IN7O11S2/c1-47(2,3)66-45(56)49-26-36(50-46(57)65-30-35-10-8-7-9-11-35)31-67(58,59)41-25-24-40(48)42(44-51-53-55(52-44)29-34-16-22-39(64-6)23-17-34)43(41)68(60,61)54(27-32-12-18-37(62-4)19-13-32)28-33-14-20-38(63-5)21-15-33/h7-25,36H,26-31H2,1-6H3,(H,49,56)(H,50,57)/t36-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0850n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
VIM-1 protein


(Pseudomonas aeruginosa)
BDBM367893
PNG
((R)-benzyl tert-butyl (3-((2- (N,N-bis(4- methoxyb...)
Show SMILES COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)OCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C47H52IN7O11S2/c1-47(2,3)66-45(56)49-26-36(50-46(57)65-30-35-10-8-7-9-11-35)31-67(58,59)41-25-24-40(48)42(44-51-53-55(52-44)29-34-16-22-39(64-6)23-17-34)43(41)68(60,61)54(27-32-12-18-37(62-4)19-13-32)28-33-14-20-38(63-5)21-15-33/h7-25,36H,26-31H2,1-6H3,(H,49,56)(H,50,57)/t36-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.110n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Klebsiella pneumoniae)
BDBM367893
PNG
((R)-benzyl tert-butyl (3-((2- (N,N-bis(4- methoxyb...)
Show SMILES COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)OCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C47H52IN7O11S2/c1-47(2,3)66-45(56)49-26-36(50-46(57)65-30-35-10-8-7-9-11-35)31-67(58,59)41-25-24-40(48)42(44-51-53-55(52-44)29-34-16-22-39(64-6)23-17-34)43(41)68(60,61)54(27-32-12-18-37(62-4)19-13-32)28-33-14-20-38(63-5)21-15-33/h7-25,36H,26-31H2,1-6H3,(H,49,56)(H,50,57)/t36-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0510n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


J Med Chem 51: 1231-41 (2008)


BindingDB Entry DOI: 10.7270/Q2Z60RCD
More data for this
Ligand-Target Pair