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Compile Data Set for Download or QSAR

Found 8 hits of ki data for polymerid = 50003010   
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
Carboxypeptidase G2


(Pseudomonas aeruginosa)
BDBM50074672
PNG
((R)-2-(4-Methoxy-phenylsulfanylcarbonylamino)-pent...)
Show SMILES COc1ccc(SC(=O)N[C@H](CCC(O)=O)C(O)=O)cc1
Show InChI InChI=1S/C13H15NO6S/c1-20-8-2-4-9(5-3-8)21-13(19)14-10(12(17)18)6-7-11(15)16/h2-5,10H,6-7H2,1H3,(H,14,19)(H,15,16)(H,17,18)/t10-/m1/s1
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300n/an/an/an/an/an/an/an/a



Imperial College of Science

Curated by ChEMBL


Assay Description
Inhibitory activity against bacterial carboxypeptidase G2 by Dixon plot assay


J Med Chem 42: 951-6 (1999)

More data for this
Ligand-Target Pair
Carboxypeptidase G2


(Pseudomonas aeruginosa)
BDBM50074680
PNG
(2-p-Tolylsulfanylcarbonylamino-pentanedioic acid |...)
Show SMILES Cc1ccc(SC(=O)NC(CCC(O)=O)C(O)=O)cc1
Show InChI InChI=1S/C13H15NO5S/c1-8-2-4-9(5-3-8)20-13(19)14-10(12(17)18)6-7-11(15)16/h2-5,10H,6-7H2,1H3,(H,14,19)(H,15,16)(H,17,18)
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1.05E+3n/an/an/an/an/an/an/an/a



Imperial College of Science

Curated by ChEMBL


Assay Description
Inhibitory activity against bacterial carboxypeptidase G2 by Dixon plot assay


J Med Chem 42: 951-6 (1999)

More data for this
Ligand-Target Pair
Carboxypeptidase G2


(Pseudomonas aeruginosa)
BDBM50074674
PNG
(2-(3-Methoxy-phenylsulfanylcarbonylamino)-pentaned...)
Show SMILES COc1cccc(SC(=O)NC(CCC(O)=O)C(O)=O)c1
Show InChI InChI=1S/C13H15NO6S/c1-20-8-3-2-4-9(7-8)21-13(19)14-10(12(17)18)5-6-11(15)16/h2-4,7,10H,5-6H2,1H3,(H,14,19)(H,15,16)(H,17,18)
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1.07E+3n/an/an/an/an/an/an/an/a



Imperial College of Science

Curated by ChEMBL


Assay Description
Inhibitory activity against bacterial carboxypeptidase G2 by Dixon plot assay


J Med Chem 42: 951-6 (1999)

More data for this
Ligand-Target Pair
Carboxypeptidase G2


(Pseudomonas aeruginosa)
BDBM50074673
PNG
(2-(3-Amino-phenylsulfanylcarbonylamino)-pentanedio...)
Show SMILES Nc1cccc(SC(=O)NC(CCC(O)=O)C(O)=O)c1
Show InChI InChI=1S/C12H14N2O5S/c13-7-2-1-3-8(6-7)20-12(19)14-9(11(17)18)4-5-10(15)16/h1-3,6,9H,4-5,13H2,(H,14,19)(H,15,16)(H,17,18)
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2.50E+3n/an/an/an/an/an/an/an/a



Imperial College of Science

Curated by ChEMBL


Assay Description
Inhibitory activity against bacterial carboxypeptidase G2 by Dixon plot assay


J Med Chem 42: 951-6 (1999)

More data for this
Ligand-Target Pair
Carboxypeptidase G2


(Pseudomonas aeruginosa)
BDBM50074679
PNG
(2-(4-Amino-phenylsulfanylcarbonylamino)-pentanedio...)
Show SMILES Nc1ccc(SC(=O)NC(CCC(O)=O)C(O)=O)cc1
Show InChI InChI=1S/C12H14N2O5S/c13-7-1-3-8(4-2-7)20-12(19)14-9(11(17)18)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,19)(H,15,16)(H,17,18)
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5.80E+3n/an/an/an/an/an/an/an/a



Imperial College of Science

Curated by ChEMBL


Assay Description
Inhibitory activity against bacterial carboxypeptidase G2 by Dixon plot assay


J Med Chem 42: 951-6 (1999)

More data for this
Ligand-Target Pair
Carboxypeptidase G2


(Pseudomonas aeruginosa)
BDBM50171504
PNG
((S)-2-{4-[Bis-(2-chloro-ethyl)-amino]-2,3,5,6-tetr...)
Show SMILES OC(=O)CC[C@H](NC(=O)c1c(F)c(F)c(N(CCCl)CCCl)c(F)c1F)C(O)=O
Show InChI InChI=1S/C16H16Cl2F4N2O5/c17-3-5-24(6-4-18)14-12(21)10(19)9(11(20)13(14)22)15(27)23-7(16(28)29)1-2-8(25)26/h7H,1-6H2,(H,23,27)(H,25,26)(H,28,29)/t7-/m0/s1
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1.27E+5n/an/an/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibitory activity against carboxypeptidase G2 from pseudomonas RS16


J Med Chem 48: 5321-8 (2005)

More data for this
Ligand-Target Pair
Carboxypeptidase G2


(Pseudomonas aeruginosa)
BDBM50074678
PNG
(2-(1-Oxy-pyridin-4-ylsulfanylcarbonylamino)-pentan...)
Show SMILES OC(=O)CCC(NC(=O)Sc1cc[n+]([O-])cc1)C(O)=O
Show InChI InChI=1S/C11H12N2O6S/c14-9(15)2-1-8(10(16)17)12-11(18)20-7-3-5-13(19)6-4-7/h3-6,8H,1-2H2,(H,12,18)(H,14,15)(H,16,17)
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1.65E+5n/an/an/an/an/an/an/an/a



Imperial College of Science

Curated by ChEMBL


Assay Description
Inhibitory activity against bacterial carboxypeptidase G2 by Dixon plot assay


J Med Chem 42: 951-6 (1999)

More data for this
Ligand-Target Pair
Carboxypeptidase G2


(Pseudomonas aeruginosa)
BDBM50171496
PNG
((S)-2-{4-[Bis-(2-iodo-ethyl)-amino]-2,3,5,6-tetraf...)
Show SMILES OC(=O)CC[C@H](NC(=O)c1c(F)c(F)c(N(CCI)CCI)c(F)c1F)C(O)=O
Show InChI InChI=1S/C16H16F4I2N2O5/c17-10-9(15(27)23-7(16(28)29)1-2-8(25)26)11(18)13(20)14(12(10)19)24(5-3-21)6-4-22/h7H,1-6H2,(H,23,27)(H,25,26)(H,28,29)/t7-/m0/s1
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2.76E+5n/an/an/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibitory activity against carboxypeptidase G2 from pseudomonas RS16


J Med Chem 48: 5321-8 (2005)

More data for this
Ligand-Target Pair