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Compile Data Set for Download or QSAR

Found 31 hits with Last Name = 'millis' and Initial = 'sz'   
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
Lethal factor


(Bacillus anthracis)
BDBM8525
PNG
(4-{[(1S,2R,4S,5R)-2,4-bis(carbamimidamidomethyl)-5...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6@H]-1-[#6]-[#6@@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#6]-[#6@@H]-1-[#8]-c1ccc(cc1\[#7]=[#6](\[#7])-[#7])\[#7]=[#6](/[#7])-[#7])-[#8]-c1ccc(cc1\[#7]=[#6](\[#7])-[#7])\[#7]=[#6](/[#7])-[#7] |r|
Show InChI InChI=1S/C26H42N18O2/c27-21(28)39-9-11-5-12(10-40-22(29)30)20(46-18-4-2-14(42-24(33)34)7-16(18)44-26(37)38)8-19(11)45-17-3-1-13(41-23(31)32)6-15(17)43-25(35)36/h1-4,6-7,11-12,19-20H,5,8-10H2,(H4,27,28,39)(H4,29,30,40)(H4,31,32,41)(H4,33,34,42)(H4,35,36,43)(H4,37,38,44)/t11-,12+,19+,20-
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65 -40.6n/an/an/an/an/a7.422



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 1527-31 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.038
BindingDB Entry DOI: 10.7270/Q2FB5146
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM12008
PNG
((1R,3S,4R,5R,6S)-4-{[(2R,3R,4R,5S,6R)-6-(aminometh...)
Show SMILES [#7]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#8]-[#6@H]-2-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-[#6@@H]-2\[#7]=[#6](/[#7])-[#7])\[#7]=[#6](/[#7])-[#7])-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@@H]-1-[#8] |r|
Show InChI InChI=1S/C15H32N10O6/c16-2-5-8(27)9(28)6(25-15(21)22)12(30-5)31-11-4(24-14(19)20)1-3(23-13(17)18)7(26)10(11)29/h3-12,26-29H,1-2,16H2,(H4,17,18,23)(H4,19,20,24)(H4,21,22,25)/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
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500 -35.6n/an/an/an/an/a7.422



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 5183-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.005
BindingDB Entry DOI: 10.7270/Q2VQ30WD
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM19
PNG
((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)
Show SMILES NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
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500 -35.6n/an/an/an/an/a7.422



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 5183-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.005
BindingDB Entry DOI: 10.7270/Q2VQ30WD
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM8524
PNG
((1R,2S,4R,5S)-2,4-bis(carbamimidamidomethyl)-5-(2,...)
Show SMILES [#6]-c1cc(-[#7]-[#6](=O)-[#8]-[#6@@H]-2-[#6]-[#6@H](-[#8]-c3ccc(cc3\[#7]=[#6](/[#7])-[#7])\[#7]=[#6](/[#7])-[#7])-[#6@@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#6@H]-2-[#6]\[#7]=[#6](\[#7])-[#7])ccc1F |r|
Show InChI InChI=1S/C26H38FN13O3/c1-12-6-15(2-4-17(12)27)39-26(41)43-21-9-20(13(10-36-22(28)29)7-14(21)11-37-23(30)31)42-19-5-3-16(38-24(32)33)8-18(19)40-25(34)35/h2-6,8,13-14,20-21H,7,9-11H2,1H3,(H,39,41)(H4,28,29,36)(H4,30,31,37)(H4,32,33,38)(H4,34,35,40)/t13-,14+,20+,21-/m1/s1
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500 -35.6n/an/an/an/an/a7.422



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 1527-31 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.038
BindingDB Entry DOI: 10.7270/Q2FB5146
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM19
PNG
((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)
Show SMILES NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
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500 -36.0n/an/an/an/an/an/a25



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 1527-31 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.038
BindingDB Entry DOI: 10.7270/Q2FB5146
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM8517
PNG
(4-[(1S,2S,4S,5R)-2,4-bis(carbamimidamidomethyl)-5-...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6@@H]-1-[#6]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-[#6@H]-1-[#8])-c1ccc(cc1\[#7]=[#6](\[#7])-[#7])\[#7]=[#6](/[#7])-[#7] |r|
Show InChI InChI=1S/C18H32N12O/c19-15(20)27-6-8-3-9(7-28-16(21)22)14(31)5-12(8)11-2-1-10(29-17(23)24)4-13(11)30-18(25)26/h1-2,4,8-9,12,14,31H,3,5-7H2,(H4,19,20,27)(H4,21,22,28)(H4,23,24,29)(H4,25,26,30)/t8-,9+,12+,14-/m1/s1
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600 -35.2n/an/an/an/an/a7.422



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 1527-31 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.038
BindingDB Entry DOI: 10.7270/Q2FB5146
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM11997
PNG
((1R,3S,4R,5R,6S)-4-{[(2R,3R,4R,5S,6R)-3-carbamimid...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6@H]-1-[#8]-[#6@H](-[#8]-[#6@H]-2-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-[#6@@H]-2\[#7]=[#6](\[#7])-[#7])\[#7]=[#6](/[#7])-[#7])-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@@H]-1-[#8] |r|
Show InChI InChI=1S/C16H34N12O6/c17-13(18)25-2-5-8(30)9(31)6(28-16(23)24)12(33-5)34-11-4(27-15(21)22)1-3(26-14(19)20)7(29)10(11)32/h3-12,29-32H,1-2H2,(H4,17,18,25)(H4,19,20,26)(H4,21,22,27)(H4,23,24,28)/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
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700 -34.8n/an/an/an/an/a7.422



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 5183-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.005
BindingDB Entry DOI: 10.7270/Q2VQ30WD
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM12005
PNG
((2R,3R,4R,5S,6R)-2-{[(1R,2R,3S,4R,6S)-4-amino-6-ca...)
Show SMILES [#7]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#8]-[#6@H]-2-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H](-[#7])-[#6]-[#6@@H]-2\[#7]=[#6](/[#7])-[#7])-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@@H]-1-[#8] |r|
Show InChI InChI=1S/C14H30N8O6/c15-2-5-8(24)9(25)6(22-14(19)20)12(27-5)28-11-4(21-13(17)18)1-3(16)7(23)10(11)26/h3-12,23-26H,1-2,15-16H2,(H4,17,18,21)(H4,19,20,22)/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
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700 -34.8n/an/an/an/an/a7.422



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 5183-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.005
BindingDB Entry DOI: 10.7270/Q2VQ30WD
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM12012
PNG
((1R,3S,4R,5R,6S)-4-{[(2R,3R,4R,5R,6R)-3-carbamimid...)
Show SMILES [#6]-[#8]-[#6@@H]-1-[#6@@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]-[#6@H](-[#8]-[#6@@H]-2-[#6@H](-[#6]-[#6@@H](\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#8]-[#6])-[#6@H]-2-[#8]-[#6])\[#7]=[#6](/[#7])-[#7])-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#8]-[#6] |r|
Show InChI InChI=1S/C20H42N12O6/c1-33-11-7(30-18(23)24)5-8(31-19(25)26)12(15(11)36-4)38-16-10(32-20(27)28)14(35-3)13(34-2)9(37-16)6-29-17(21)22/h7-16H,5-6H2,1-4H3,(H4,21,22,29)(H4,23,24,30)(H4,25,26,31)(H4,27,28,32)/t7-,8+,9-,10-,11+,12-,13-,14-,15-,16-/m1/s1
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1.50E+3 -32.9n/an/an/an/an/a7.422



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 5183-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.005
BindingDB Entry DOI: 10.7270/Q2VQ30WD
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM12010
PNG
((2R,3R,4R,5S,6R)-2-{[(1R,2R,3S,4R,6S)-6-amino-4-ca...)
Show SMILES [#7]-[#6@H]-1-[#6]-[#6@@H](\[#7]=[#6](/[#7])-[#7])-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H]-1-[#8]-[#6@H]-1-[#8]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1\[#7]=[#6](\[#7])-[#7] |r|
Show InChI InChI=1S/C15H32N10O6/c16-3-1-4(24-14(19)20)7(26)10(29)11(3)31-12-6(25-15(21)22)9(28)8(27)5(30-12)2-23-13(17)18/h3-12,26-29H,1-2,16H2,(H4,17,18,23)(H4,19,20,24)(H4,21,22,25)/t3-,4+,5+,6+,7-,8+,9+,10+,11+,12+/m0/s1
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3.10E+3 -31.1n/an/an/an/an/a7.422



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 5183-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.005
BindingDB Entry DOI: 10.7270/Q2VQ30WD
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM8519
PNG
(2-[(1S,2S,4S,5R)-2,4-bis(carbamimidamidomethyl)-5-...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6@@H]-1-[#6]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-[#6@H]-1-[#8])-c1ncccc1\[#7]=[#6](\[#7])-[#7] |r|
Show InChI InChI=1S/C16H28N10O/c17-14(18)24-6-8-4-9(7-25-15(19)20)12(27)5-10(8)13-11(26-16(21)22)2-1-3-23-13/h1-3,8-10,12,27H,4-7H2,(H4,17,18,24)(H4,19,20,25)(H4,21,22,26)/t8-,9+,10+,12-/m1/s1
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4.10E+3 -30.4n/an/an/an/an/a7.422



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 1527-31 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.038
BindingDB Entry DOI: 10.7270/Q2FB5146
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM11998
PNG
((1R,2S,3R,4R,5S)-5-amino-4-{[(2R,3R,4R,5S,6R)-3-am...)
Show SMILES [#7]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#8]-[#6@@H]-2-[#6@@H](-[#7])-[#6]-[#6@@H](\[#7]=[#6](/[#7])-[#7])-[#6@H](-[#8])-[#6@H]-2-[#8])-[#6@H](-[#7])-[#6@@H](-[#8])-[#6@@H]-1-[#8] |r|
Show InChI InChI=1S/C13H28N6O6/c14-2-5-8(21)9(22)6(16)12(24-5)25-11-3(15)1-4(19-13(17)18)7(20)10(11)23/h3-12,20-23H,1-2,14-16H2,(H4,17,18,19)/t3-,4+,5+,6+,7-,8+,9+,10+,11+,12+/m0/s1
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5.00E+3 -30.0n/an/an/an/an/a7.422



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 5183-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.005
BindingDB Entry DOI: 10.7270/Q2VQ30WD
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM11999
PNG
((1S,2R,3R,4S,5R)-5-amino-2-{[(2R,3R,4R,5S,6R)-3-am...)
Show SMILES [#7]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#8]-[#6@H]-2-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H](-[#7])-[#6]-[#6@@H]-2\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#7])-[#6@@H](-[#8])-[#6@@H]-1-[#8] |r|
Show InChI InChI=1S/C13H28N6O6/c14-2-5-8(21)9(22)6(16)12(24-5)25-11-4(19-13(17)18)1-3(15)7(20)10(11)23/h3-12,20-23H,1-2,14-16H2,(H4,17,18,19)/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
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5.20E+3 -29.9n/an/an/an/an/a7.422



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 5183-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.005
BindingDB Entry DOI: 10.7270/Q2VQ30WD
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM12003
PNG
((2R,3R,4R,5S,6R)-2-{[(1R,2R,3S,4R,6S)-6-amino-4-ca...)
Show SMILES [#7]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#8]-[#6@@H]-2-[#6@@H](-[#7])-[#6]-[#6@@H](\[#7]=[#6](/[#7])-[#7])-[#6@H](-[#8])-[#6@H]-2-[#8])-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@@H]-1-[#8] |r|
Show InChI InChI=1S/C14H30N8O6/c15-2-5-8(24)9(25)6(22-14(19)20)12(27-5)28-11-3(16)1-4(21-13(17)18)7(23)10(11)26/h3-12,23-26H,1-2,15-16H2,(H4,17,18,21)(H4,19,20,22)/t3-,4+,5+,6+,7-,8+,9+,10+,11+,12+/m0/s1
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5.30E+3 -29.8n/an/an/an/an/a7.422



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 5183-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.005
BindingDB Entry DOI: 10.7270/Q2VQ30WD
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM12002
PNG
((1R,3S,4R,5R,6S)-4-{[(2R,3R,4R,5S,6R)-3-amino-6-(a...)
Show SMILES [#7]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#8]-[#6@H]-2-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-[#6@@H]-2\[#7]=[#6](/[#7])-[#7])\[#7]=[#6](/[#7])-[#7])-[#6@H](-[#7])-[#6@@H](-[#8])-[#6@@H]-1-[#8] |r|
Show InChI InChI=1S/C14H30N8O6/c15-2-5-8(24)9(25)6(16)12(27-5)28-11-4(22-14(19)20)1-3(21-13(17)18)7(23)10(11)26/h3-12,23-26H,1-2,15-16H2,(H4,17,18,21)(H4,19,20,22)/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
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5.60E+3 -29.7n/an/an/an/an/a7.422



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 5183-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.005
BindingDB Entry DOI: 10.7270/Q2VQ30WD
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM8518
PNG
(6-[(1S,2S,4S,5R)-2,4-bis(carbamimidamidomethyl)-5-...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6@@H]-1-[#6]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-[#6@H]-1-[#8])-c1ccc(cn1)\[#7]=[#6](/[#7])-[#7] |r|
Show InChI InChI=1S/C16H28N10O/c17-14(18)24-5-8-3-9(6-25-15(19)20)13(27)4-11(8)12-2-1-10(7-23-12)26-16(21)22/h1-2,7-9,11,13,27H,3-6H2,(H4,17,18,24)(H4,19,20,25)(H4,21,22,26)/t8-,9+,11+,13-/m1/s1
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6.60E+3 -29.3n/an/an/an/an/a7.422



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 1527-31 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.038
BindingDB Entry DOI: 10.7270/Q2FB5146
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM12007
PNG
((2R,3R,4R,5S,6R)-6-(carbamimidamidomethyl)-2-{[(1R...)
Show SMILES [#7]-[#6@@H]-1-[#6]-[#6@H](-[#7])-[#6@@H](-[#8]-[#6@H]-2-[#8]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-2\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#8])-[#6@H]-1-[#8] |r|
Show InChI InChI=1S/C14H30N8O6/c15-3-1-4(16)11(10(26)7(3)23)28-12-6(22-14(19)20)9(25)8(24)5(27-12)2-21-13(17)18/h3-12,23-26H,1-2,15-16H2,(H4,17,18,21)(H4,19,20,22)/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
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7.70E+3 -28.9n/an/an/an/an/a7.422



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 5183-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.005
BindingDB Entry DOI: 10.7270/Q2VQ30WD
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM12009
PNG
((1R,3S,4R,5R,6S)-4-{[(2R,3R,4R,5S,6R)-3-amino-6-(c...)
Show SMILES [#7]-[#6@@H]-1-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]-[#6@@H]-1-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-[#6@@H]-1\[#7]=[#6](/[#7])-[#7])\[#7]=[#6](/[#7])-[#7] |r|
Show InChI InChI=1S/C15H32N10O6/c16-6-9(28)8(27)5(2-23-13(17)18)30-12(6)31-11-4(25-15(21)22)1-3(24-14(19)20)7(26)10(11)29/h3-12,26-29H,1-2,16H2,(H4,17,18,23)(H4,19,20,24)(H4,21,22,25)/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
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8.70E+3 -28.6n/an/an/an/an/a7.422



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 5183-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.005
BindingDB Entry DOI: 10.7270/Q2VQ30WD
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM12006
PNG
((1S,2R,3R,4S,5R)-5-amino-2-{[(2R,3R,4R,5S,6R)-3-am...)
Show SMILES [#7]-[#6@@H]-1-[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@@H](-[#8]-[#6@H]-2-[#8]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-2-[#7])-[#6@H](-[#8])-[#6@H]-1-[#8] |r|
Show InChI InChI=1S/C14H30N8O6/c15-3-1-4(22-14(19)20)11(10(26)7(3)23)28-12-6(16)9(25)8(24)5(27-12)2-21-13(17)18/h3-12,23-26H,1-2,15-16H2,(H4,17,18,21)(H4,19,20,22)/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
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8.80E+3 -28.6n/an/an/an/an/a7.422



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 5183-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.005
BindingDB Entry DOI: 10.7270/Q2VQ30WD
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM12011
PNG
((2R,3R,4R,5S,6R)-2-{[(1R,2R,3S,4R,6S)-4-amino-6-ca...)
Show SMILES [#7]-[#6@@H]-1-[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@@H](-[#8]-[#6@H]-2-[#8]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-2\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#8])-[#6@H]-1-[#8] |r|
Show InChI InChI=1S/C15H32N10O6/c16-3-1-4(24-14(19)20)11(10(29)7(3)26)31-12-6(25-15(21)22)9(28)8(27)5(30-12)2-23-13(17)18/h3-12,26-29H,1-2,16H2,(H4,17,18,23)(H4,19,20,24)(H4,21,22,25)/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
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9.20E+3 -28.5n/an/an/an/an/a7.422



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 5183-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.005
BindingDB Entry DOI: 10.7270/Q2VQ30WD
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM12004
PNG
((1R,2S,3R,4R,5S)-5-amino-4-{[(2R,3R,4R,5S,6R)-3-am...)
Show SMILES [#7]-[#6@H]-1-[#6]-[#6@@H](\[#7]=[#6](/[#7])-[#7])-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H]-1-[#8]-[#6@H]-1-[#8]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#7] |r|
Show InChI InChI=1S/C14H30N8O6/c15-3-1-4(22-14(19)20)7(23)10(26)11(3)28-12-6(16)9(25)8(24)5(27-12)2-21-13(17)18/h3-12,23-26H,1-2,15-16H2,(H4,17,18,21)(H4,19,20,22)/t3-,4+,5+,6+,7-,8+,9+,10+,11+,12+/m0/s1
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1.02E+4 -28.2n/an/an/an/an/a7.422



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 5183-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.005
BindingDB Entry DOI: 10.7270/Q2VQ30WD
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM8521
PNG
(4-[(1S,2S,4S,5R)-2,4-bis(carbamimidamidomethyl)-5-...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6@@H]-1-[#6]-[#6@H](-[#6]\[#7]=[#6](/[#7])-[#7])-[#6@H](-[#6]-[#6@H]-1-[#8])-c1c(cc(\[#7]=[#6](/[#7])-[#7])c2ccccc12)\[#7]=[#6](\[#7])-[#7] |r|
Show InChI InChI=1S/C22H34N12O/c23-19(24)31-8-10-5-11(9-32-20(25)26)17(35)6-14(10)18-13-4-2-1-3-12(13)15(33-21(27)28)7-16(18)34-22(29)30/h1-4,7,10-11,14,17,35H,5-6,8-9H2,(H4,23,24,31)(H4,25,26,32)(H4,27,28,33)(H4,29,30,34)/t10-,11+,14+,17-/m1/s1
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1.07E+4 -28.1n/an/an/an/an/a7.422



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 1527-31 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.038
BindingDB Entry DOI: 10.7270/Q2FB5146
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM12000
PNG
((2R,3R,4R,5S,6R)-6-(aminomethyl)-2-{[(1R,2R,3S,4R,...)
Show SMILES [#7]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#8]-[#6@@H]-2-[#6@@H](-[#7])-[#6]-[#6@@H](-[#7])-[#6@H](-[#8])-[#6@H]-2-[#8])-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@@H]-1-[#8] |r|
Show InChI InChI=1S/C13H28N6O6/c14-2-5-8(21)9(22)6(19-13(17)18)12(24-5)25-11-4(16)1-3(15)7(20)10(11)23/h3-12,20-23H,1-2,14-16H2,(H4,17,18,19)/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
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1.09E+4 -28.0n/an/an/an/an/a7.422



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 5183-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.005
BindingDB Entry DOI: 10.7270/Q2VQ30WD
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM8515
PNG
(4-[(1S,2S,4S,5R)-2,4-bis(carbamimidamidomethyl)-5-...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6@@H]-1-[#6]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-[#6@H]-1-[#8])-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7] |r|
Show InChI InChI=1S/C17H29N9O/c18-15(19)24-7-10-5-11(8-25-16(20)21)14(27)6-13(10)9-1-3-12(4-2-9)26-17(22)23/h1-4,10-11,13-14,27H,5-8H2,(H4,18,19,24)(H4,20,21,25)(H4,22,23,26)/t10-,11+,13-,14-/m1/s1
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1.49E+4 -27.3n/an/an/an/an/a7.422



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 1527-31 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.038
BindingDB Entry DOI: 10.7270/Q2FB5146
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM12001
PNG
(3-{[(2R,3S,4R,5R,6R)-5-amino-6-{[(1R,2R,3S,4R,6S)-...)
Show SMILES [#7]-[#6@@H]-1-[#6]-[#6@H](-[#7])-[#6@@H](-[#8]-[#6@H]-2-[#8]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-2-[#7])-[#6@H](-[#8])-[#6@H]-1-[#8] |r|
Show InChI InChI=1S/C13H28N6O6/c14-3-1-4(15)11(10(23)7(3)20)25-12-6(16)9(22)8(21)5(24-12)2-19-13(17)18/h3-12,20-23H,1-2,14-16H2,(H4,17,18,19)/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
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2.43E+4 -26.1n/an/an/an/an/a7.422



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 5183-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.005
BindingDB Entry DOI: 10.7270/Q2VQ30WD
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM8523
PNG
((1S,2R,4S,5R)-2,4-bis(carbamimidamidomethyl)-5-hyd...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6@@H]-1-[#6]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-[#6@H]-1-[#8])-[#8]-[#6](=O)-[#7]-c1ccccc1\[#7]=[#6](/[#7])-[#7] |r|
Show InChI InChI=1S/C18H30N10O3/c19-15(20)25-7-9-5-10(8-26-16(21)22)14(6-13(9)29)31-18(30)28-12-4-2-1-3-11(12)27-17(23)24/h1-4,9-10,13-14,29H,5-8H2,(H,28,30)(H4,19,20,25)(H4,21,22,26)(H4,23,24,27)/t9-,10+,13+,14-/m0/s1
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2.48E+4 -26.0n/an/an/an/an/a7.422



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 1527-31 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.038
BindingDB Entry DOI: 10.7270/Q2FB5146
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM8516
PNG
(2-[(1S,2S,4S,5R)-2,4-bis(carbamimidamidomethyl)-5-...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6@@H]-1-[#6]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-[#6@H]-1-[#8])-c1ccccc1\[#7]=[#6](\[#7])-[#7] |r|
Show InChI InChI=1S/C17H29N9O/c18-15(19)24-7-9-5-10(8-25-16(20)21)14(27)6-12(9)11-3-1-2-4-13(11)26-17(22)23/h1-4,9-10,12,14,27H,5-8H2,(H4,18,19,24)(H4,20,21,25)(H4,22,23,26)/t9-,10+,12+,14-/m1/s1
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3.06E+4 -25.5n/an/an/an/an/a7.422



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 1527-31 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.038
BindingDB Entry DOI: 10.7270/Q2FB5146
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM8520
PNG
(4-[(1S,2S,4S,5R)-2,4-bis(carbamimidamidomethyl)-5-...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6@@H]-1-[#6]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-[#6@H]-1-[#8])-c1ccc(\[#7]=[#6](/[#7])-[#7])c2ccccc12 |r|
Show InChI InChI=1S/C21H31N9O/c22-19(23)28-9-11-7-12(10-29-20(24)25)18(31)8-16(11)14-5-6-17(30-21(26)27)15-4-2-1-3-13(14)15/h1-6,11-12,16,18,31H,7-10H2,(H4,22,23,28)(H4,24,25,29)(H4,26,27,30)/t11-,12+,16+,18-/m1/s1
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3.14E+4 -25.4n/an/an/an/an/a7.422



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 1527-31 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.038
BindingDB Entry DOI: 10.7270/Q2FB5146
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM8580
PNG
((2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2...)
Show SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
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4.29E+4 -24.7n/an/an/an/an/a7.422



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 5183-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.005
BindingDB Entry DOI: 10.7270/Q2VQ30WD
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM8580
PNG
((2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2...)
Show SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
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4.29E+4 -24.9n/an/an/an/an/an/a25



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 1527-31 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.038
BindingDB Entry DOI: 10.7270/Q2FB5146
More data for this
Ligand-Target Pair
Lethal factor


(Bacillus anthracis)
BDBM8522
PNG
(3-{[(1S,2S,4R,5S)-2-(2-amino-1H-1,3-benzodiazol-6-...)
Show SMILES NC(N)=NC[C@@H]1C[C@H](CN=C(N)N)[C@H](C[C@H]1O)c1ccc2nc(N)[nH]c2c1 |r,wU:5.4,7.7,wD:15.16,13.17,(2.19,7.78,;2.19,6.24,;3.53,5.47,;.86,5.47,;.86,3.93,;-.47,3.16,;-1.81,3.93,;-3.14,3.16,;-4.48,3.93,;-4.48,5.47,;-5.81,6.24,;-5.81,7.78,;-7.14,5.47,;-3.14,1.62,;-1.81,.85,;-.47,1.62,;.86,.85,;-4.48,.85,;-4.45,-.69,;-5.78,-1.48,;-7.12,-.73,;-8.58,-1.22,;-9.5,.01,;-11.04,-.01,;-8.61,1.27,;-7.14,.81,;-5.82,1.6,)|
Show InChI InChI=1S/C17H27N9O/c18-15(19)23-6-9-3-10(7-24-16(20)21)14(27)5-11(9)8-1-2-12-13(4-8)26-17(22)25-12/h1-2,4,9-11,14,27H,3,5-7H2,(H4,18,19,23)(H4,20,21,24)(H3,22,25,26)/t9-,10+,11-,14-/m1/s1
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1.54E+5 -21.5n/an/an/an/an/a7.422



Hawaii Biotech Inc.



Assay Description
The enzymatic reaction started by the addition fluorogenic peptide substrate, MAPKKide to the buffer containing LF and inhibitor compound. Cleavage o...


Bioorg Med Chem Lett 16: 1527-31 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.038
BindingDB Entry DOI: 10.7270/Q2FB5146
More data for this
Ligand-Target Pair