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Compile Data Set for Download or QSAR

Found 14 hits with Last Name = 'pyun' and Initial = 'hj'   
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
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50137405
PNG
(CHEMBL176975 | Carbamic acid (3R,4S,5S,6R)-5-metho...)
Show SMILES [#6]-[#8]-[#6@@H]-1-[#6@@H](-[#6]-[#6][C@]2([#6]-[#8]2)[#6@H]-1[C@@]1([#6])[#8]-[#6@@H]1-[#6]\[#6]=[#6](/[#6])-[#6])-[#8]-[#6](-[#7])=O
Show InChI InChI=1S/C17H27NO5/c1-10(2)5-6-12-16(3,23-12)14-13(20-4)11(22-15(18)19)7-8-17(14)9-21-17/h5,11-14H,6-9H2,1-4H3,(H2,18,19)/t11-,12-,13-,14-,16+,17+/m1/s1
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n/an/a 0.390n/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against Methionine aminopeptidase 2


Bioorg Med Chem Lett 14: 91-4 (2003)


BindingDB Entry DOI: 10.7270/Q27P8ZXD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50137403
PNG
(Acetyl-carbamic acid (3R,4S,5S,6R)-5-methoxy-4-[(R...)
Show SMILES [#6]-[#8]-[#6@@H]-1-[#6@@H](-[#6]-[#6][C@]2([#6]-[#8]2)[#6@H]-1[C@@]1([#6])[#8]-[#6@@H]1-[#6]\[#6]=[#6](\[#6])-[#6])-[#8]-[#6](=O)-[#7]-[#6](Cl)=O
Show InChI InChI=1S/C18H26ClNO6/c1-10(2)5-6-12-17(3,26-12)14-13(23-4)11(7-8-18(14)9-24-18)25-16(22)20-15(19)21/h5,11-14H,6-9H2,1-4H3,(H,20,21,22)/t11-,12-,13-,14-,17+,18+/m1/s1
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n/an/a 0.430n/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against Methionine aminopeptidase 2


Bioorg Med Chem Lett 14: 91-4 (2003)


BindingDB Entry DOI: 10.7270/Q27P8ZXD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50137404
PNG
(Acetic acid (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-m...)
Show SMILES [#6]-[#8]-[#6@@H]-1-[#6@@H](-[#6]-[#6][C@]2([#6]-[#8]2)[#6@H]-1[C@@]1([#6])[#8]-[#6@@H]1-[#6]\[#6]=[#6](/[#6])-[#6])-[#8]-[#6](-[#6])=O
Show InChI InChI=1S/C18H28O5/c1-11(2)6-7-14-17(4,23-14)16-15(20-5)13(22-12(3)19)8-9-18(16)10-21-18/h6,13-16H,7-10H2,1-5H3/t13-,14-,15-,16-,17+,18+/m1/s1
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n/an/a 0.510n/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against Methionine aminopeptidase 2


Bioorg Med Chem Lett 14: 91-4 (2003)


BindingDB Entry DOI: 10.7270/Q27P8ZXD
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50113436
PNG
(CHEMBL32838 | fumagillin)
Show SMILES [#6]-[#8]-[#6@@H]-1-[#6@@H](-[#6]-[#6][C@]2([#6]-[#8]2)[#6@H]-1[C@@]1([#6])[#8]-[#6@@H]1-[#6]\[#6]=[#6](/[#6])-[#6])-[#8]-[#6](=O)\[#6]=[#6]\[#6]=[#6]\[#6]=[#6]\[#6]=[#6]\[#6](-[#8])=O
Show InChI InChI=1S/C26H34O7/c1-18(2)13-14-20-25(3,33-20)24-23(30-4)19(15-16-26(24)17-31-26)32-22(29)12-10-8-6-5-7-9-11-21(27)28/h5-13,19-20,23-24H,14-17H2,1-4H3,(H,27,28)/b7-5+,8-6+,11-9+,12-10+/t19-,20-,23-,24-,25+,26+/m1/s1
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n/an/a 0.630n/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against Methionine aminopeptidase 2


Bioorg Med Chem Lett 14: 91-4 (2003)


BindingDB Entry DOI: 10.7270/Q27P8ZXD
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50137402
PNG
(4-Ethyl-piperazine-1-carboxylic acid (3R,4S,5S,6R)...)
Show SMILES CCN1CCN(CC1)C(=O)O[C@@H]1CC[C@]2(CO2)[C@H]([C@@H]1OC)C(\C)=N\OCC1CCCCC1
Show InChI InChI=1S/C24H41N3O5/c1-4-26-12-14-27(15-13-26)23(28)32-20-10-11-24(17-30-24)21(22(20)29-3)18(2)25-31-16-19-8-6-5-7-9-19/h19-22H,4-17H2,1-3H3/b25-18+/t20-,21+,22-,24+/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against Methionine aminopeptidase 2


Bioorg Med Chem Lett 14: 91-4 (2003)


BindingDB Entry DOI: 10.7270/Q27P8ZXD
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50137408
PNG
(CHEMBL172883 | Carbamic acid (3R,4S,5S,6R)-4-{1-[(...)
Show SMILES CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1\C(C)=N\OCc1ccccc1)OC(N)=O
Show InChI InChI=1S/C18H24N2O5/c1-12(20-24-10-13-6-4-3-5-7-13)15-16(22-2)14(25-17(19)21)8-9-18(15)11-23-18/h3-7,14-16H,8-11H2,1-2H3,(H2,19,21)/b20-12+/t14-,15+,16-,18+/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against Methionine aminopeptidase 2


Bioorg Med Chem Lett 14: 91-4 (2003)


BindingDB Entry DOI: 10.7270/Q27P8ZXD
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50137406
PNG
(Acetic acid (3R,4S,5S,6R)-4-{1-[(E)-benzyloxyimino...)
Show SMILES CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1\C(C)=N\OCc1ccccc1)OC(C)=O
Show InChI InChI=1S/C19H25NO5/c1-13(20-24-11-15-7-5-4-6-8-15)17-18(22-3)16(25-14(2)21)9-10-19(17)12-23-19/h4-8,16-18H,9-12H2,1-3H3/b20-13+/t16-,17+,18-,19+/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against Methionine aminopeptidase 2


Bioorg Med Chem Lett 14: 91-4 (2003)


BindingDB Entry DOI: 10.7270/Q27P8ZXD
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50137409
PNG
(CHEMBL369152 | Carbamic acid (3R,4S,5S,6R)-4-((E)-...)
Show SMILES [#6]-[#8]-[#6@@H]-1-[#6@@H](-[#6]-[#6][C@]2([#6]-[#8]2)[#6@H]-1\[#6](-[#6])=[#6]\[#6]\[#6]=[#6](/[#6])-[#6])-[#8]-[#6](-[#7])=O
Show InChI InChI=1S/C17H27NO4/c1-11(2)6-5-7-12(3)14-15(20-4)13(22-16(18)19)8-9-17(14)10-21-17/h6-7,13-15H,5,8-10H2,1-4H3,(H2,18,19)/b12-7+/t13-,14+,15-,17+/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against Methionine aminopeptidase 2


Bioorg Med Chem Lett 14: 91-4 (2003)


BindingDB Entry DOI: 10.7270/Q27P8ZXD
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50137407
PNG
(Acetic acid (3R,4S,5S,6R)-4-((E)-1,5-dimethyl-hexa...)
Show SMILES [#6]-[#8]-[#6@@H]-1-[#6@@H](-[#6]-[#6][C@]2([#6]-[#8]2)[#6@H]-1\[#6](-[#6])=[#6]\[#6]\[#6]=[#6](/[#6])-[#6])-[#8]-[#6](-[#6])=O
Show InChI InChI=1S/C18H28O4/c1-12(2)7-6-8-13(3)16-17(20-5)15(22-14(4)19)9-10-18(16)11-21-18/h7-8,15-17H,6,9-11H2,1-5H3/b13-8+/t15-,16+,17-,18+/m1/s1
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n/an/a 8.90n/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against Methionine aminopeptidase 2


Bioorg Med Chem Lett 14: 91-4 (2003)


BindingDB Entry DOI: 10.7270/Q27P8ZXD
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50404240
PNG
(CHEMBL2110259)
Show SMILES CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1\C(C)=N/OCc1ccccc1)OC(C)=O
Show InChI InChI=1S/C19H25NO5/c1-13(20-24-11-15-7-5-4-6-8-15)17-18(22-3)16(25-14(2)21)9-10-19(17)12-23-19/h4-8,16-18H,9-12H2,1-3H3/b20-13-/t16-,17+,18-,19+/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against Methionine aminopeptidase 2


Bioorg Med Chem Lett 14: 91-4 (2003)


BindingDB Entry DOI: 10.7270/Q27P8ZXD
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM50404241
PNG
(CHEMBL2110260)
Show SMILES CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1\C(C)=N/OCc1ccccc1)OC(N)=O
Show InChI InChI=1S/C18H24N2O5/c1-12(20-24-10-13-6-4-3-5-7-13)15-16(22-2)14(25-17(19)21)8-9-18(15)11-23-18/h3-7,14-16H,8-11H2,1-2H3,(H2,19,21)/b20-12-/t14-,15+,16-,18+/m1/s1
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n/an/a 57n/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against Methionine aminopeptidase 2


Bioorg Med Chem Lett 14: 91-4 (2003)


BindingDB Entry DOI: 10.7270/Q27P8ZXD
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50379653
PNG
(CHEMBL2013174 | GS-9451)
Show SMILES CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@@H]2C[C@@H]2C1)C(C)(C)C)Oc1cc(nc2c(Cl)c(OCCN3CCOCC3)ccc12)-c1csc(NC(C)C)n1)C(O)=O |r|
Show InChI InChI=1S/C45H60ClN7O9S/c1-7-27-21-45(27,41(56)57)51-39(54)33-19-29(22-53(33)40(55)38(44(4,5)6)50-43(58)62-28-17-25-16-26(25)18-28)61-35-20-31(32-23-63-42(49-32)47-24(2)3)48-37-30(35)8-9-34(36(37)46)60-15-12-52-10-13-59-14-11-52/h8-9,20,23-29,33,38H,7,10-19,21-22H2,1-6H3,(H,47,49)(H,50,58)(H,51,54)(H,56,57)/t25-,26+,27-,28+,29-,33+,38-,45-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of BCRP


Bioorg Med Chem Lett 22: 2629-34 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.017
BindingDB Entry DOI: 10.7270/Q2ZP473Z
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Homo sapiens (Human))
BDBM50379653
PNG
(CHEMBL2013174 | GS-9451)
Show SMILES CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@@H]2C[C@@H]2C1)C(C)(C)C)Oc1cc(nc2c(Cl)c(OCCN3CCOCC3)ccc12)-c1csc(NC(C)C)n1)C(O)=O |r|
Show InChI InChI=1S/C45H60ClN7O9S/c1-7-27-21-45(27,41(56)57)51-39(54)33-19-29(22-53(33)40(55)38(44(4,5)6)50-43(58)62-28-17-25-16-26(25)18-28)61-35-20-31(32-23-63-42(49-32)47-24(2)3)48-37-30(35)8-9-34(36(37)46)60-15-12-52-10-13-59-14-11-52/h8-9,20,23-29,33,38H,7,10-19,21-22H2,1-6H3,(H,47,49)(H,50,58)(H,51,54)(H,56,57)/t25-,26+,27-,28+,29-,33+,38-,45-/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of MRP2


Bioorg Med Chem Lett 22: 2629-34 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.017
BindingDB Entry DOI: 10.7270/Q2ZP473Z
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50379653
PNG
(CHEMBL2013174 | GS-9451)
Show SMILES CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@@H]2C[C@@H]2C1)C(C)(C)C)Oc1cc(nc2c(Cl)c(OCCN3CCOCC3)ccc12)-c1csc(NC(C)C)n1)C(O)=O |r|
Show InChI InChI=1S/C45H60ClN7O9S/c1-7-27-21-45(27,41(56)57)51-39(54)33-19-29(22-53(33)40(55)38(44(4,5)6)50-43(58)62-28-17-25-16-26(25)18-28)61-35-20-31(32-23-63-42(49-32)47-24(2)3)48-37-30(35)8-9-34(36(37)46)60-15-12-52-10-13-59-14-11-52/h8-9,20,23-29,33,38H,7,10-19,21-22H2,1-6H3,(H,47,49)(H,50,58)(H,51,54)(H,56,57)/t25-,26+,27-,28+,29-,33+,38-,45-/m1/s1
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n/an/a 1.49E+4n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of MRP1


Bioorg Med Chem Lett 22: 2629-34 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.017
BindingDB Entry DOI: 10.7270/Q2ZP473Z
More data for this
Ligand-Target Pair