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Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'harlos' and Initial = 'k'   
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
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50236826
PNG
(CHEMBL4065841)
Show SMILES N[C@@H](CCc1ccccc1)P(O)(=O)C[C@@H](CC(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C35H40N3O4P/c36-33(22-21-26-13-5-1-6-14-26)43(41,42)25-30(35(40)38-32(34(37)39)23-27-15-7-2-8-16-27)24-31(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30-33H,21-25,36H2,(H2,37,39)(H,38,40)(H,41,42)/t30-,32+,33-/m1/s1
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18n/an/an/an/an/an/an/an/a



National Center for Scientific Research Demokritos

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IRAP expressed in GnT1 deficient HEK293S cells using L-leucine 7-amido-4-methyl coumarin as substrate after 5 to 10 m...


J Med Chem 60: 2963-2972 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01890
BindingDB Entry DOI: 10.7270/Q29G5Q35
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50236826
PNG
(CHEMBL4065841)
Show SMILES N[C@@H](CCc1ccccc1)P(O)(=O)C[C@@H](CC(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C35H40N3O4P/c36-33(22-21-26-13-5-1-6-14-26)43(41,42)25-30(35(40)38-32(34(37)39)23-27-15-7-2-8-16-27)24-31(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30-33H,21-25,36H2,(H2,37,39)(H,38,40)(H,41,42)/t30-,32+,33-/m1/s1
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200n/an/an/an/an/an/an/an/a



National Center for Scientific Research Demokritos

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ERAP2 using L-arginyl-7-amido-4-methyl coumarin as substrate by fluorimetric assay


J Med Chem 60: 2963-2972 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01890
BindingDB Entry DOI: 10.7270/Q29G5Q35
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50236826
PNG
(CHEMBL4065841)
Show SMILES N[C@@H](CCc1ccccc1)P(O)(=O)C[C@@H](CC(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C35H40N3O4P/c36-33(22-21-26-13-5-1-6-14-26)43(41,42)25-30(35(40)38-32(34(37)39)23-27-15-7-2-8-16-27)24-31(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30-33H,21-25,36H2,(H2,37,39)(H,38,40)(H,41,42)/t30-,32+,33-/m1/s1
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3.50E+3n/an/an/an/an/an/an/an/a



National Center for Scientific Research Demokritos

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]citalopram to (SERT) serotonin transporter in rat striatum


J Med Chem 60: 2963-2972 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01890
BindingDB Entry DOI: 10.7270/Q29G5Q35
More data for this
Ligand-Target Pair
Lysine--tRNA ligase


(Plasmodium falciparum (isolate 3D7))
BDBM50434379
PNG
(CLADOSPORIN)
Show SMILES C[C@H]1CCC[C@H](C[C@H]2Cc3cc(O)cc(O)c3C(=O)O2)O1 |r|
Show InChI InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12+,13+/m0/s1
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n/an/a 120n/an/an/an/an/an/a



CSIR-National Chemical Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum KRS expressed in Escherichia coli BL21 using tRNA(Lys) as substrate after 45 mins in presence of L-lysine by AMP-...


J Med Chem 61: 5664-5678 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00565
BindingDB Entry DOI: 10.7270/Q2VM4FVP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine--tRNA ligase


(Plasmodium falciparum (isolate 3D7))
BDBM50457625
PNG
(CHEMBL4211492)
Show SMILES [H][C@]1(C[C@H]2Cc3cc(O)cc(O)c3C(=O)O2)CCC[C@@H](C)O1 |r|
Show InChI InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12-,13-/m1/s1
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n/an/a 290n/an/an/an/an/an/a



CSIR-National Chemical Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum KRS expressed in Escherichia coli BL21 using tRNA(Lys) as substrate after 45 mins in presence of L-lysine by AMP-...


J Med Chem 61: 5664-5678 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00565
BindingDB Entry DOI: 10.7270/Q2VM4FVP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine--tRNA ligase


(Plasmodium falciparum (isolate 3D7))
BDBM50457620
PNG
(CHEMBL4206602)
Show SMILES [H][C@]1(C[C@@H]2Cc3cc(O)cc(O)c3C(=O)O2)CCC[C@H](C)O1 |r|
Show InChI InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12+,13-/m0/s1
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n/an/a 4.64E+3n/an/an/an/an/an/a



CSIR-National Chemical Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum KRS expressed in Escherichia coli BL21 using tRNA(Lys) as substrate after 45 mins in presence of L-lysine by AMP-...


J Med Chem 61: 5664-5678 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00565
BindingDB Entry DOI: 10.7270/Q2VM4FVP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine--tRNA ligase


(Plasmodium falciparum (isolate 3D7))
BDBM50457624
PNG
(CHEMBL4215932)
Show SMILES [H][C@@]1(C[C@H]2Cc3cc(O)cc(O)c3C(=O)O2)CCC[C@H](C)O1 |r|
Show InChI InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12-,13+/m0/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



CSIR-National Chemical Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum KRS expressed in Escherichia coli BL21 using tRNA(Lys) as substrate after 45 mins in presence of L-lysine by AMP-...


J Med Chem 61: 5664-5678 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00565
BindingDB Entry DOI: 10.7270/Q2VM4FVP
More data for this
Ligand-Target Pair
Lysine--tRNA ligase


(Plasmodium falciparum (isolate 3D7))
BDBM50457621
PNG
(CHEMBL578530 | GNF-Pf-5378)
Show SMILES C[C@@H]1CCC[C@@H](C[C@H]2Cc3cc(O)cc(O)c3C(=O)O2)O1 |r|
Show InChI InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12+,13-/m1/s1
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n/an/a 7.25E+3n/an/an/an/an/an/a



CSIR-National Chemical Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum KRS expressed in Escherichia coli BL21 using tRNA(Lys) as substrate after 45 mins in presence of L-lysine by AMP-...


J Med Chem 61: 5664-5678 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00565
BindingDB Entry DOI: 10.7270/Q2VM4FVP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine--tRNA ligase


(Plasmodium falciparum (isolate 3D7))
BDBM50457626
PNG
(CHEMBL4215398)
Show SMILES [H][C@]1(C[C@@H]2Cc3cc(O)cc(O)c3C(=O)O2)CCC[C@@H](C)O1 |r|
Show InChI InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12-,13+/m1/s1
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n/an/a 2.13E+4n/an/an/an/an/an/a



CSIR-National Chemical Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum KRS expressed in Escherichia coli BL21 using tRNA(Lys) as substrate after 45 mins in presence of L-lysine by AMP-...


J Med Chem 61: 5664-5678 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00565
BindingDB Entry DOI: 10.7270/Q2VM4FVP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine--tRNA ligase


(Plasmodium falciparum (isolate 3D7))
BDBM50457622
PNG
(CHEMBL4203718)
Show SMILES [H][C@@]1(C[C@@H]2Cc3cc(O)cc(O)c3C(=O)O2)CCC[C@H](C)O1 |r|
Show InChI InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12-,13-/m0/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



CSIR-National Chemical Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum KRS expressed in Escherichia coli BL21 using tRNA(Lys) as substrate after 45 mins in presence of L-lysine by AMP-...


J Med Chem 61: 5664-5678 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00565
BindingDB Entry DOI: 10.7270/Q2VM4FVP
More data for this
Ligand-Target Pair
Lysine--tRNA ligase


(Plasmodium falciparum (isolate 3D7))
BDBM50457623
PNG
(CHEMBL4206188)
Show SMILES [H][C@@]1(C[C@@H]2Cc3cc(O)cc(O)c3C(=O)O2)CCC[C@@H](C)O1 |r|
Show InChI InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12+,13+/m1/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



CSIR-National Chemical Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum KRS expressed in Escherichia coli BL21 using tRNA(Lys) as substrate after 45 mins in presence of L-lysine by AMP-...


J Med Chem 61: 5664-5678 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00565
BindingDB Entry DOI: 10.7270/Q2VM4FVP
More data for this
Ligand-Target Pair
Lysine--tRNA ligase


(Homo sapiens (Human))
BDBM50457626
PNG
(CHEMBL4215398)
Show SMILES [H][C@]1(C[C@@H]2Cc3cc(O)cc(O)c3C(=O)O2)CCC[C@@H](C)O1 |r|
Show InChI InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12-,13+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



CSIR-National Chemical Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human KRS expressed in Escherichia coli BL21 using tRNA(Lys) as substrate after 1 hr in presence of L-lysine by AMP-GLO assay


J Med Chem 61: 5664-5678 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00565
BindingDB Entry DOI: 10.7270/Q2VM4FVP
More data for this
Ligand-Target Pair
Lysine--tRNA ligase


(Homo sapiens (Human))
BDBM50457625
PNG
(CHEMBL4211492)
Show SMILES [H][C@]1(C[C@H]2Cc3cc(O)cc(O)c3C(=O)O2)CCC[C@@H](C)O1 |r|
Show InChI InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12-,13-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



CSIR-National Chemical Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human KRS expressed in Escherichia coli BL21 using tRNA(Lys) as substrate after 1 hr in presence of L-lysine by AMP-GLO assay


J Med Chem 61: 5664-5678 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00565
BindingDB Entry DOI: 10.7270/Q2VM4FVP
More data for this
Ligand-Target Pair
Lysine--tRNA ligase


(Homo sapiens (Human))
BDBM50457621
PNG
(CHEMBL578530 | GNF-Pf-5378)
Show SMILES C[C@@H]1CCC[C@@H](C[C@H]2Cc3cc(O)cc(O)c3C(=O)O2)O1 |r|
Show InChI InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12+,13-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



CSIR-National Chemical Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human KRS expressed in Escherichia coli BL21 using tRNA(Lys) as substrate after 1 hr in presence of L-lysine by AMP-GLO assay


J Med Chem 61: 5664-5678 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00565
BindingDB Entry DOI: 10.7270/Q2VM4FVP
More data for this
Ligand-Target Pair
Lysine--tRNA ligase


(Homo sapiens (Human))
BDBM50457620
PNG
(CHEMBL4206602)
Show SMILES [H][C@]1(C[C@@H]2Cc3cc(O)cc(O)c3C(=O)O2)CCC[C@H](C)O1 |r|
Show InChI InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12+,13-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



CSIR-National Chemical Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human KRS expressed in Escherichia coli BL21 using tRNA(Lys) as substrate after 1 hr in presence of L-lysine by AMP-GLO assay


J Med Chem 61: 5664-5678 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00565
BindingDB Entry DOI: 10.7270/Q2VM4FVP
More data for this
Ligand-Target Pair
Lysine--tRNA ligase


(Homo sapiens (Human))
BDBM50457624
PNG
(CHEMBL4215932)
Show SMILES [H][C@@]1(C[C@H]2Cc3cc(O)cc(O)c3C(=O)O2)CCC[C@H](C)O1 |r|
Show InChI InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12-,13+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



CSIR-National Chemical Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human KRS expressed in Escherichia coli BL21 using tRNA(Lys) as substrate after 1 hr in presence of L-lysine by AMP-GLO assay


J Med Chem 61: 5664-5678 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00565
BindingDB Entry DOI: 10.7270/Q2VM4FVP
More data for this
Ligand-Target Pair
Lysine--tRNA ligase


(Homo sapiens (Human))
BDBM50457623
PNG
(CHEMBL4206188)
Show SMILES [H][C@@]1(C[C@@H]2Cc3cc(O)cc(O)c3C(=O)O2)CCC[C@@H](C)O1 |r|
Show InChI InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12+,13+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



CSIR-National Chemical Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human KRS expressed in Escherichia coli BL21 using tRNA(Lys) as substrate after 1 hr in presence of L-lysine by AMP-GLO assay


J Med Chem 61: 5664-5678 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00565
BindingDB Entry DOI: 10.7270/Q2VM4FVP
More data for this
Ligand-Target Pair
Lysine--tRNA ligase


(Homo sapiens (Human))
BDBM50457622
PNG
(CHEMBL4203718)
Show SMILES [H][C@@]1(C[C@@H]2Cc3cc(O)cc(O)c3C(=O)O2)CCC[C@H](C)O1 |r|
Show InChI InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12-,13-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



CSIR-National Chemical Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human KRS expressed in Escherichia coli BL21 using tRNA(Lys) as substrate after 1 hr in presence of L-lysine by AMP-GLO assay


J Med Chem 61: 5664-5678 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00565
BindingDB Entry DOI: 10.7270/Q2VM4FVP
More data for this
Ligand-Target Pair
Lysine--tRNA ligase


(Homo sapiens (Human))
BDBM50434379
PNG
(CLADOSPORIN)
Show SMILES C[C@H]1CCC[C@H](C[C@H]2Cc3cc(O)cc(O)c3C(=O)O2)O1 |r|
Show InChI InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12+,13+/m0/s1
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n/an/a 1.05E+5n/an/an/an/an/an/a



CSIR-National Chemical Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human KRS expressed in Escherichia coli BL21 using tRNA(Lys) as substrate after 1 hr in presence of L-lysine by AMP-GLO assay


J Med Chem 61: 5664-5678 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00565
BindingDB Entry DOI: 10.7270/Q2VM4FVP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)