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Compile Data Set for Download or QSAR

Found 13 hits with Last Name = 'kwak' and Initial = 'jy'   
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
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM86298
PNG
(WKFMVm-NH2)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O
Show InChI InChI=1S/C41H61N9O6S2/c1-25(2)35(41(56)46-31(36(44)51)17-20-57-3)50-39(54)33(18-21-58-4)48-40(55)34(22-26-12-6-5-7-13-26)49-38(53)32(16-10-11-19-42)47-37(52)29(43)23-27-24-45-30-15-9-8-14-28(27)30/h5-9,12-15,24-25,29,31-35,45H,10-11,16-23,42-43H2,1-4H3,(H2,44,51)(H,46,56)(H,47,52)(H,48,55)(H,49,53)(H,50,54)/t29-,31+,32+,33-,34-,35-/m0/s1
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18n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by PDSP Ki Database




Mol Pharmacol 64: 841-7 (2003)


Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM86301
PNG
(WKWMVm-NH2)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O
Show InChI InChI=1S/C43H62N10O6S2/c1-25(2)37(43(59)49-33(38(46)54)16-19-60-3)53-41(57)35(17-20-61-4)51-42(58)36(22-27-24-48-32-14-8-6-12-29(27)32)52-40(56)34(15-9-10-18-44)50-39(55)30(45)21-26-23-47-31-13-7-5-11-28(26)31/h5-8,11-14,23-25,30,33-37,47-48H,9-10,15-22,44-45H2,1-4H3,(H2,46,54)(H,49,59)(H,50,55)(H,51,58)(H,52,56)(H,53,57)/t30-,33+,34+,35-,36-,37-/m0/s1
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19n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by PDSP Ki Database




Mol Pharmacol 64: 841-7 (2003)


Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM86299
PNG
(WHYMVm-NH2)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O
Show InChI InChI=1S/C41H56N10O7S2/c1-23(2)35(41(58)47-31(36(43)53)13-15-59-3)51-38(55)32(14-16-60-4)48-39(56)33(17-24-9-11-27(52)12-10-24)50-40(57)34(19-26-21-44-22-46-26)49-37(54)29(42)18-25-20-45-30-8-6-5-7-28(25)30/h5-12,20-23,29,31-35,45,52H,13-19,42H2,1-4H3,(H2,43,53)(H,44,46)(H,47,58)(H,48,56)(H,49,54)(H,50,57)(H,51,55)/t29-,31+,32-,33-,34+,35-/m0/s1
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32n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by PDSP Ki Database




Mol Pharmacol 64: 841-7 (2003)


Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM86297
PNG
(WKYMVm-NH2)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O
Show InChI InChI=1S/C41H61N9O7S2/c1-24(2)35(41(57)46-31(36(44)52)16-19-58-3)50-39(55)33(17-20-59-4)48-40(56)34(21-25-12-14-27(51)15-13-25)49-38(54)32(11-7-8-18-42)47-37(53)29(43)22-26-23-45-30-10-6-5-9-28(26)30/h5-6,9-10,12-15,23-24,29,31-35,45,51H,7-8,11,16-22,42-43H2,1-4H3,(H2,44,52)(H,46,57)(H,47,53)(H,48,56)(H,49,54)(H,50,55)/t29-,31+,32+,33-,34-,35-/m0/s1
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47n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by PDSP Ki Database




Mol Pharmacol 64: 841-7 (2003)


Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM86308
PNG
(WRYMVm-NH2)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O |wU:32.40,12.16,wD:43.44,20.29,8.8,4.4,(5.12,.93,;6.45,1.7,;6.45,3.24,;7.79,4.01,;7.79,5.55,;9.13,6.26,;10.45,5.52,;10.45,3.98,;11.76,6.17,;13.15,5.32,;14.49,5.99,;14.49,7.53,;15.92,5.25,;15.92,3.67,;14.54,2.87,;14.63,1.34,;13.2,.65,;17.24,5.99,;18.49,5.32,;18.49,3.77,;19.9,6.1,;19.9,7.63,;18.6,8.44,;18.6,9.98,;17.27,10.75,;15.94,9.98,;14.6,10.75,;15.94,8.44,;17.27,7.67,;21.12,5.25,;22.39,6.1,;22.39,7.72,;23.71,5.32,;25.19,6.17,;25.19,7.71,;26.52,8.48,;26.52,10.02,;27.86,10.79,;27.86,12.33,;29.19,10.02,;23.71,3.79,;24.91,3.07,;26.09,3.79,;24.91,1.53,;23.76,.65,;26.25,.76,;27.58,1.53,;27.74,3.06,;29.25,3.38,;30.02,2.04,;31.52,1.72,;32.05,.25,;30.97,-.89,;29.46,-.57,;28.99,.9,;11.83,7.72,;10.58,8.51,;13.17,8.49,;6.52,6.38,;5.25,5.55,;6.52,7.93,)|
Show InChI InChI=1S/C41H61N11O7S2/c1-23(2)34(40(59)48-30(35(43)54)15-18-60-3)52-38(57)32(16-19-61-4)50-39(58)33(20-24-11-13-26(53)14-12-24)51-37(56)31(10-7-17-46-41(44)45)49-36(55)28(42)21-25-22-47-29-9-6-5-8-27(25)29/h5-6,8-9,11-14,22-23,28,30-34,47,53H,7,10,15-21,42H2,1-4H3,(H2,43,54)(H,48,59)(H,49,55)(H,50,58)(H,51,56)(H,52,57)(H4,44,45,46)/t28-,30+,31+,32-,33-,34-/m0/s1
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55n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by PDSP Ki Database




Mol Pharmacol 64: 841-7 (2003)


Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM86300
PNG
(WKYM(F/W)m-NH2)
Show SMILES CSCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C45H61N9O7S2/c1-62-22-19-35(40(48)56)50-44(60)38(24-28-10-4-3-5-11-28)54-43(59)37(20-23-63-2)52-45(61)39(25-29-15-17-31(55)18-16-29)53-42(58)36(14-8-9-21-46)51-41(57)33(47)26-30-27-49-34-13-7-6-12-32(30)34/h3-7,10-13,15-18,27,33,35-39,49,55H,8-9,14,19-26,46-47H2,1-2H3,(H2,48,56)(H,50,60)(H,51,57)(H,52,61)(H,53,58)(H,54,59)/t33-,35+,36+,37-,38-,39-/m0/s1
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57n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by PDSP Ki Database




Mol Pharmacol 64: 841-7 (2003)


Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM86302
PNG
(WDYMVm-NH2)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O
Show InChI InChI=1S/C39H54N8O9S2/c1-21(2)33(39(56)43-28(34(41)51)13-15-57-3)47-36(53)29(14-16-58-4)44-37(54)30(17-22-9-11-24(48)12-10-22)46-38(55)31(19-32(49)50)45-35(52)26(40)18-23-20-42-27-8-6-5-7-25(23)27/h5-12,20-21,26,28-31,33,42,48H,13-19,40H2,1-4H3,(H2,41,51)(H,43,56)(H,44,54)(H,45,52)(H,46,55)(H,47,53)(H,49,50)/t26-,28+,29-,30-,31+,33-/m0/s1
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99n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by PDSP Ki Database




Mol Pharmacol 64: 841-7 (2003)


Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM86303
PNG
(WKHMVm-NH2)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O
Show InChI InChI=1S/C38H59N11O6S2/c1-22(2)32(38(55)45-28(33(41)50)12-15-56-3)49-36(53)30(13-16-57-4)47-37(54)31(18-24-20-42-21-44-24)48-35(52)29(11-7-8-14-39)46-34(51)26(40)17-23-19-43-27-10-6-5-9-25(23)27/h5-6,9-10,19-22,26,28-32,43H,7-8,11-18,39-40H2,1-4H3,(H2,41,50)(H,42,44)(H,45,55)(H,46,51)(H,47,54)(H,48,52)(H,49,53)/t26-,28+,29+,30-,31-,32-/m0/s1
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282n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by PDSP Ki Database




Mol Pharmacol 64: 841-7 (2003)


Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM86306
PNG
(WEYMVm-NH2)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O
Show InChI InChI=1S/C40H56N8O9S2/c1-22(2)34(40(57)44-29(35(42)52)15-17-58-3)48-38(55)31(16-18-59-4)46-39(56)32(19-23-9-11-25(49)12-10-23)47-37(54)30(13-14-33(50)51)45-36(53)27(41)20-24-21-43-28-8-6-5-7-26(24)28/h5-12,21-22,27,29-32,34,43,49H,13-20,41H2,1-4H3,(H2,42,52)(H,44,57)(H,45,53)(H,46,56)(H,47,54)(H,48,55)(H,50,51)/t27-,29+,30+,31-,32-,34-/m0/s1
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323n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by PDSP Ki Database




Mol Pharmacol 64: 841-7 (2003)


Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM86305
PNG
(YMVm-NH2)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(N)=O
Show InChI InChI=1S/C24H39N5O5S2/c1-14(2)20(24(34)27-18(21(26)31)9-11-35-3)29-23(33)19(10-12-36-4)28-22(32)17(25)13-15-5-7-16(30)8-6-15/h5-8,14,17-20,30H,9-13,25H2,1-4H3,(H2,26,31)(H,27,34)(H,28,32)(H,29,33)/t17-,18+,19-,20-/m0/s1
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567n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by PDSP Ki Database




Mol Pharmacol 64: 841-7 (2003)


Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM86307
PNG
(WKYMYm-NH2)
Show SMILES CSCC[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C45H61N9O8S2/c1-63-21-18-35(40(48)57)50-44(61)38(23-27-10-14-30(55)15-11-27)54-43(60)37(19-22-64-2)52-45(62)39(24-28-12-16-31(56)17-13-28)53-42(59)36(9-5-6-20-46)51-41(58)33(47)25-29-26-49-34-8-4-3-7-32(29)34/h3-4,7-8,10-17,26,33,35-39,49,55-56H,5-6,9,18-25,46-47H2,1-2H3,(H2,48,57)(H,50,61)(H,51,58)(H,52,62)(H,53,59)(H,54,60)/t33-,35+,36+,37-,38-,39-/m0/s1
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671n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by PDSP Ki Database




Mol Pharmacol 64: 841-7 (2003)


Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM86304
PNG
(WKDMVm-NH2)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O
Show InChI InChI=1S/C36H57N9O8S2/c1-20(2)30(36(53)41-25(31(39)48)12-15-54-3)45-34(51)27(13-16-55-4)43-35(52)28(18-29(46)47)44-33(50)26(11-7-8-14-37)42-32(49)23(38)17-21-19-40-24-10-6-5-9-22(21)24/h5-6,9-10,19-20,23,25-28,30,40H,7-8,11-18,37-38H2,1-4H3,(H2,39,48)(H,41,53)(H,42,49)(H,43,52)(H,44,50)(H,45,51)(H,46,47)/t23-,25+,26+,27-,28-,30-/m0/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by PDSP Ki Database




Mol Pharmacol 64: 841-7 (2003)


Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM86296
PNG
(WKEMVm-NH2)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O
Show InChI InChI=1S/C37H59N9O8S2/c1-21(2)31(37(54)42-26(32(40)49)14-17-55-3)46-36(53)29(15-18-56-4)45-35(52)28(12-13-30(47)48)44-34(51)27(11-7-8-16-38)43-33(50)24(39)19-22-20-41-25-10-6-5-9-23(22)25/h5-6,9-10,20-21,24,26-29,31,41H,7-8,11-19,38-39H2,1-4H3,(H2,40,49)(H,42,54)(H,43,50)(H,44,51)(H,45,52)(H,46,53)(H,47,48)/t24-,26+,27+,28-,29-,31-/m0/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Pohang University of Science and Technology

Curated by PDSP Ki Database




Mol Pharmacol 64: 841-7 (2003)


Article DOI: 10.1124/mol.64.4.841
BindingDB Entry DOI: 10.7270/Q2WQ02D4
More data for this
Ligand-Target Pair