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Compile Data Set for Download or QSAR

Found 371 hits of ki for UniProtKB: P21462   
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
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))
BDBM50050937
PNG
((S)-2-[(S)-2-((S)-2-Formylamino-4-methylsulfanyl-b...)
Show SMILES CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C21H31N3O5S/c1-14(2)11-17(23-19(26)16(22-13-25)9-10-30-3)20(27)24-18(21(28)29)12-15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)(H,28,29)/t16-,17-,18-/m0/s1
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PubMed
42n/an/an/an/an/an/an/an/a



Universit£ di Genova

Curated by ChEMBL


Assay Description
Displacement of [3H]-fMLP from FPR in human neutrophils


Bioorg Med Chem Lett 17: 3696-701 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.036
BindingDB Entry DOI: 10.7270/Q2R21261
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))
BDBM40404
PNG
(UNM000003536701 | [6-ethyl-2-methyl-3-(1-methylben...)
Show SMILES CCc1cc2c(cc1OC(C)=O)oc(C)c(-c1nc3ccccc3n1C)c2=O |(15.91,-2.7,;15.92,-1.16,;14.59,-.39,;13.19,-1.18,;11.82,-.36,;11.82,1.18,;13.19,2.01,;14.59,1.22,;15.92,1.99,;15.91,3.53,;17.24,4.31,;14.58,4.3,;10.48,1.95,;9.15,1.18,;7.82,1.95,;9.15,-.36,;7.82,-1.13,;6.42,-.5,;5.39,-1.64,;3.85,-1.64,;3.08,-2.97,;3.85,-4.31,;5.39,-4.31,;6.16,-2.97,;7.66,-2.65,;8.8,-3.68,;10.48,-1.13,;10.48,-2.67,)|
Show InChI InChI=1S/C22H20N2O4/c1-5-14-10-15-19(11-18(14)28-13(3)25)27-12(2)20(21(15)26)22-23-16-8-6-7-9-17(16)24(22)4/h6-11H,5H2,1-4H3
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300n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Z31X1B
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))
BDBM40416
PNG
(2-thiophenecarboxylic acid [3-(2-chlorophenyl)-4-o...)
Show SMILES FC(F)(F)c1oc2cc(OC(=O)c3cccs3)ccc2c(=O)c1-c1ccccc1Cl |(4.41,2.51,;5.75,1.74,;6.52,3.08,;4.98,.41,;7.08,.97,;8.41,1.74,;9.75,.97,;11.13,1.8,;12.52,1,;13.85,1.78,;15.19,1.01,;15.19,-.53,;16.52,1.79,;17.93,1.17,;18.95,2.32,;18.18,3.65,;16.67,3.32,;12.52,-.6,;11.13,-1.39,;9.75,-.57,;8.41,-1.34,;8.41,-2.88,;7.08,-.57,;5.75,-1.34,;4.41,-.57,;3.08,-1.34,;3.08,-2.88,;4.41,-3.65,;5.75,-2.88,;7.08,-3.65,)|
Show InChI InChI=1S/C21H10ClF3O4S/c22-14-5-2-1-4-12(14)17-18(26)13-8-7-11(28-20(27)16-6-3-9-30-16)10-15(13)29-19(17)21(23,24)25/h1-10H
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1.10E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Z31X1B
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM40402
PNG
(2-furancarboxylic acid [3-(2-methoxyphenyl)-4-oxo-...)
Show SMILES COc1ccccc1-c1c(oc2cc(OC(=O)c3ccco3)ccc2c1=O)C(F)(F)F |(7.08,-4.42,;7.08,-2.88,;5.75,-2.11,;4.41,-2.88,;3.08,-2.11,;3.08,-.57,;4.41,.2,;5.75,-.57,;7.08,.2,;7.08,1.74,;8.41,2.51,;9.75,1.74,;11.13,2.57,;12.52,1.77,;13.85,2.55,;15.19,1.78,;15.19,.24,;16.52,2.56,;16.67,4.09,;18.18,4.42,;18.95,3.09,;17.93,1.94,;12.52,.17,;11.13,-.62,;9.75,.2,;8.41,-.57,;8.41,-2.11,;5.75,2.51,;4.41,3.28,;6.52,3.85,;4.98,1.18,)|
Show InChI InChI=1S/C22H13F3O6/c1-28-15-6-3-2-5-13(15)18-19(26)14-9-8-12(30-21(27)16-7-4-10-29-16)11-17(14)31-20(18)22(23,24)25/h2-11H,1H3
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1.10E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Z31X1B
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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Article
PubMed
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
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM40406
PNG
((4E)-5-(2,5-dimethoxyphenyl)-1-(2-methoxyethyl)-4-...)
Show SMILES COCCN1C(C(C(=O)c2ccccc2)C(=O)C1=O)c1cc(OC)ccc1OC
Show InChI InChI=1S/C22H23NO6/c1-27-12-11-23-19(16-13-15(28-2)9-10-17(16)29-3)18(21(25)22(23)26)20(24)14-7-5-4-6-8-14/h4-10,13,18-19H,11-12H2,1-3H3
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1.80E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Z31X1B
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM37643
PNG
((4Z)-5-(2,5-dimethoxyphenyl)-1-(2-furanylmethyl)-4...)
Show SMILES COc1ccc(OC)c(c1)C1C(C(=O)c2ccccc2)C(=O)C(=O)N1Cc1ccco1
Show InChI InChI=1S/C24H21NO6/c1-29-16-10-11-19(30-2)18(13-16)21-20(22(26)15-7-4-3-5-8-15)23(27)24(28)25(21)14-17-9-6-12-31-17/h3-13,20-21H,14H2,1-2H3
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2.20E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM40457
PNG
(3-(4-chlorophenyl)-5-methyl-6-(phenylmethyl)-2-(tr...)
Show SMILES Cc1nc2c(c([nH]n2c(=O)c1Cc1ccccc1)C(F)(F)F)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H15ClF3N3O/c1-12-16(11-13-5-3-2-4-6-13)20(29)28-19(26-12)17(18(27-28)21(23,24)25)14-7-9-15(22)10-8-14/h2-10,27H,11H2,1H3
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2.50E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Z31X1B
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM40415
PNG
(2-furancarboxylic acid [3-(2-chlorophenyl)-4-oxo-2...)
Show SMILES FC(F)(F)c1oc2cc(OC(=O)c3ccco3)ccc2c(=O)c1-c1ccccc1Cl |(4.41,2.51,;5.75,1.74,;6.52,3.08,;4.98,.41,;7.08,.97,;8.41,1.74,;9.75,.97,;11.13,1.8,;12.52,1,;13.85,1.78,;15.19,1.01,;15.19,-.53,;16.52,1.79,;17.93,1.17,;18.95,2.32,;18.18,3.65,;16.67,3.32,;12.52,-.6,;11.13,-1.39,;9.75,-.57,;8.41,-1.34,;8.41,-2.88,;7.08,-.57,;5.75,-1.34,;4.41,-.57,;3.08,-1.34,;3.08,-2.88,;4.41,-3.65,;5.75,-2.88,;7.08,-3.65,)|
Show InChI InChI=1S/C21H10ClF3O5/c22-14-5-2-1-4-12(14)17-18(26)13-8-7-11(29-20(27)15-6-3-9-28-15)10-16(13)30-19(17)21(23,24)25/h1-10H
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2.50E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Z31X1B
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM40418
PNG
(2-(2,4-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)-...)
Show SMILES COc1ccc(C2C(C(=O)c3cccs3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1
Show InChI InChI=1S/C23H26N2O6S/c1-29-15-5-6-16(17(14-15)30-2)20-19(21(26)18-4-3-13-32-18)22(27)23(28)25(20)8-7-24-9-11-31-12-10-24/h3-6,13-14,19-20H,7-12H2,1-2H3
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2.90E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Z31X1B
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM40413
PNG
(2-furancarboxylic acid [3-(3,4-dimethoxyphenyl)-4-...)
Show SMILES COc1ccc(cc1OC)-c1c(oc2cc(OC(=O)c3ccco3)ccc2c1=O)C(F)(F)F
Show InChI InChI=1S/C23H15F3O7/c1-29-15-8-5-12(10-18(15)30-2)19-20(27)14-7-6-13(32-22(28)16-4-3-9-31-16)11-17(14)33-21(19)23(24,25)26/h3-11H,1-2H3
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3.30E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Z31X1B
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM37667
PNG
(4-[(E)-[4,5-diketo-1-(2-morpholinoethyl)-2-(2-thie...)
Show SMILES COC(=O)c1[nH]c(C)c(C(=O)C2C(N(CCN3CCOCC3)C(=O)C2=O)c2cccs2)c1C
Show InChI InChI=1S/C23H27N3O6S/c1-13-16(14(2)24-18(13)23(30)31-3)20(27)17-19(15-5-4-12-33-15)26(22(29)21(17)28)7-6-25-8-10-32-11-9-25/h4-5,12,17,19,24H,6-11H2,1-3H3
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3.30E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM40419
PNG
((4E)-5-(2,4-dimethoxyphenyl)-1-(3-imidazol-1-ylpro...)
Show SMILES COc1ccc(C2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCn2ccnc2)c(OC)c1
Show InChI InChI=1S/C25H25N3O5/c1-32-18-9-10-19(20(15-18)33-2)22-21(23(29)17-7-4-3-5-8-17)24(30)25(31)28(22)13-6-12-27-14-11-26-16-27/h3-5,7-11,14-16,21-22H,6,12-13H2,1-2H3
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3.40E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Z31X1B
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50022309
PNG
(3,5-Dioxo-1,2-diphenyl-4-n-butylpyrazolidine | 4-b...)
Show SMILES CCCCc1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O
Show InChI InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,22H,2-3,14H2,1H3
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3.50E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM37613
PNG
((4Z)-4-[hydroxy(phenyl)methylene]-1-isobutyl-5-(2-...)
Show SMILES COc1ccccc1C1C(C(=O)c2ccccc2)C(=O)C(=O)N1CC(C)C
Show InChI InChI=1S/C22H23NO4/c1-14(2)13-23-19(16-11-7-8-12-17(16)27-3)18(21(25)22(23)26)20(24)15-9-5-4-6-10-15/h4-12,14,18-19H,13H2,1-3H3
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3.60E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM40420
PNG
(1-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)-4-ox...)
Show SMILES COc1ccc(cc1)C1C(C(=O)c2cccs2)C(=O)C(=O)N1CCCn1ccnc1
Show InChI InChI=1S/C22H21N3O4S/c1-29-16-7-5-15(6-8-16)19-18(20(26)17-4-2-13-30-17)21(27)22(28)25(19)11-3-10-24-12-9-23-14-24/h2,4-9,12-14,18-19H,3,10-11H2,1H3
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4.70E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Z31X1B
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM40401
PNG
((4Z)-1-hexyl-5-(3-methoxy-4-oxidanyl-phenyl)-4-[ox...)
Show SMILES CCCCCCN1C(C(C(=O)c2ccccc2)C(=O)C1=O)c1ccc(O)c(OC)c1
Show InChI InChI=1S/C24H27NO5/c1-3-4-5-9-14-25-21(17-12-13-18(26)19(15-17)30-2)20(23(28)24(25)29)22(27)16-10-7-6-8-11-16/h6-8,10-13,15,20-21,26H,3-5,9,14H2,1-2H3
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4.70E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Z31X1B
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM37632
PNG
(MLS000069426 | PENICILLIN G POTASSIUM SALT | Penic...)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C([O-])=O
Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/p-1/t11-,12+,14-/m1/s1
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5.10E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM37772
PNG
(2-(benzylsulfonyl)-N,N-diisobutylacetamide | 2-ben...)
Show SMILES CC(C)CN(CC(C)C)C(=O)CS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C17H27NO3S/c1-14(2)10-18(11-15(3)4)17(19)13-22(20,21)12-16-8-6-5-7-9-16/h5-9,14-15H,10-13H2,1-4H3
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5.50E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM37759
PNG
(2-furancarboxylic acid [3-(2-methoxyphenyl)-2-meth...)
Show SMILES COc1ccccc1-c1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O |(3.08,1.74,;4.41,.97,;4.41,-.57,;3.08,-1.34,;3.08,-2.88,;4.41,-3.65,;5.75,-2.88,;5.75,-1.34,;7.08,-.57,;7.08,.97,;5.75,1.74,;8.41,1.74,;9.75,.97,;11.13,1.8,;12.52,1,;13.85,1.78,;15.19,1.01,;15.19,-.53,;16.52,1.79,;16.67,3.32,;18.18,3.65,;18.95,2.32,;17.93,1.17,;12.52,-.6,;11.13,-1.39,;9.75,-.57,;8.41,-1.34,;8.41,-2.88,)|
Show InChI InChI=1S/C22H16O6/c1-13-20(15-6-3-4-7-17(15)25-2)21(23)16-10-9-14(12-19(16)27-13)28-22(24)18-8-5-11-26-18/h3-12H,1-2H3
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5.90E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM40411
PNG
((4E)-5-(2,5-dimethoxyphenyl)-4-[hydroxy(phenyl)met...)
Show SMILES COc1ccc(OC)c(c1)C1C(C(=O)c2ccccc2)C(=O)C(=O)N1c1cccnc1
Show InChI InChI=1S/C24H20N2O5/c1-30-17-10-11-19(31-2)18(13-17)21-20(22(27)15-7-4-3-5-8-15)23(28)24(29)26(21)16-9-6-12-25-14-16/h3-14,20-21H,1-2H3
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6.00E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Z31X1B
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM37725
PNG
(2-[[3-(5-chloranyl-2-methoxy-phenyl)-7-oxidanylide...)
Show SMILES COc1ccc(Cl)cc1-n1c2nc(SCC(=O)NCC3CCCO3)[nH]c(=O)c2sc1=S |(22.17,.5,;20.66,.18,;19.63,1.33,;20.11,2.79,;19.08,3.94,;17.57,3.62,;16.54,4.77,;17.09,2.16,;18.12,1.01,;17.64,-.45,;16.19,-.92,;14.85,-.15,;13.52,-.92,;12.19,-.15,;10.85,-.92,;9.52,-.15,;9.52,1.39,;8.18,-.92,;6.85,-.15,;5.52,-.92,;5.36,-2.45,;3.85,-2.77,;3.08,-1.44,;4.11,-.29,;13.52,-2.46,;14.85,-3.23,;14.85,-4.77,;16.19,-2.46,;17.64,-2.93,;18.54,-1.69,;20.08,-1.69,)|
Show InChI InChI=1S/C19H19ClN4O4S3/c1-27-13-5-4-10(20)7-12(13)24-16-15(31-19(24)29)17(26)23-18(22-16)30-9-14(25)21-8-11-3-2-6-28-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,21,25)(H,22,23,26)
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6.10E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM37785
PNG
(4-[(E)-[4,5-diketo-1-(3-morpholinopropyl)-2-(2-pyr...)
Show SMILES COC(=O)c1[nH]c(C)c(C(=O)C2C(N(CCCN3CCOCC3)C(=O)C2=O)c2ccccn2)c1C
Show InChI InChI=1S/C25H30N4O6/c1-15-18(16(2)27-20(15)25(33)34-3)22(30)19-21(17-7-4-5-8-26-17)29(24(32)23(19)31)10-6-9-28-11-13-35-14-12-28/h4-5,7-8,19,21,27H,6,9-14H2,1-3H3
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6.30E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM37762
PNG
(3-(furan-2-carbonyl)-4-hydroxy-2-(4-prop-2-enoxyph...)
Show SMILES C=CCOc1ccc(cc1)C1C(C(=O)c2ccco2)C(=O)C(=O)N1Cc1cccnc1
Show InChI InChI=1S/C24H20N2O5/c1-2-12-30-18-9-7-17(8-10-18)21-20(22(27)19-6-4-13-31-19)23(28)24(29)26(21)15-16-5-3-11-25-14-16/h2-11,13-14,20-21H,1,12,15H2
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6.40E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM37781
PNG
(2-(4-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-...)
Show SMILES CCOc1ccc(cc1)C1C(C(=O)c2ccco2)C(=O)C(=O)N1CCCn1ccnc1
Show InChI InChI=1S/C23H23N3O5/c1-2-30-17-8-6-16(7-9-17)20-19(21(27)18-5-3-14-31-18)22(28)23(29)26(20)12-4-11-25-13-10-24-15-25/h3,5-10,13-15,19-20H,2,4,11-12H2,1H3
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6.40E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50183472
PNG
(5-(2,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-3-hyd...)
Show SMILES COc1ccc(C2C(C(=O)c3ccco3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1
Show InChI InChI=1S/C23H26N2O7/c1-29-15-5-6-16(18(14-15)30-2)20-19(21(26)17-4-3-11-32-17)22(27)23(28)25(20)8-7-24-9-12-31-13-10-24/h3-6,11,14,19-20H,7-10,12-13H2,1-2H3
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6.40E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Z31X1B
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM40440
PNG
(2-(4-chlorophenyl)-4-hydroxy-1-(2-phenylethyl)-3-(...)
Show SMILES Clc1ccc(cc1)C1C(C(=O)c2cccs2)C(=O)C(=O)N1CCc1ccccc1
Show InChI InChI=1S/C23H18ClNO3S/c24-17-10-8-16(9-11-17)20-19(21(26)18-7-4-14-29-18)22(27)23(28)25(20)13-12-15-5-2-1-3-6-15/h1-11,14,19-20H,12-13H2
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6.90E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Z31X1B
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM37824
PNG
(4-(1-adamantyl)-1,2-diphenyl-pyrazolidine-3,5-dion...)
Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5,2:3:9:1.11.8|
Show InChI InChI=1S/C25H26N2O2/c28-23-22(25-14-17-11-18(15-25)13-19(12-17)16-25)24(29)27(21-9-5-2-6-10-21)26(23)20-7-3-1-4-8-20/h1-10,17-19,28H,11-16H2
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7.50E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM37806
PNG
((4Z)-4-[(4-chlorophenyl)-hydroxy-methylene]-5-(5-m...)
Show SMILES Cc1ccc(o1)C1C(C(=O)c2ccc(Cl)cc2)C(=O)C(=O)N1CC1CCCO1
Show InChI InChI=1S/C21H20ClNO5/c1-12-4-9-16(28-12)18-17(19(24)13-5-7-14(22)8-6-13)20(25)21(26)23(18)11-15-3-2-10-27-15/h4-9,15,17-18H,2-3,10-11H2,1H3
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7.60E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM37638
PNG
(MLS000068757 | N-[3-cyano-1-(2-methylphenyl)-2-pyr...)
Show SMILES CCC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1-c1ccccc1C |(15.5,-3.4,;14.73,-2.07,;13.19,-2.07,;12.42,-3.4,;12.42,-.73,;10.88,-.73,;9.98,-1.97,;10.46,-3.44,;10.93,-4.9,;8.52,-1.5,;7.19,-2.27,;5.85,-1.5,;4.48,-2.33,;3.08,-1.53,;3.08,.07,;4.48,.86,;5.85,.04,;7.19,.81,;8.52,.04,;9.98,.51,;10.46,1.97,;9.43,3.12,;9.91,4.58,;11.41,4.9,;12.44,3.75,;11.96,2.29,;12.99,1.14,)|
Show InChI InChI=1S/C21H17N5O/c1-3-18(27)25-20-14(12-22)19-21(24-16-10-6-5-9-15(16)23-19)26(20)17-11-7-4-8-13(17)2/h4-11H,3H2,1-2H3,(H,25,27)
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7.90E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM37825
PNG
(1-Benzyl-4-(furan-2-carbonyl)-5-furan-2-yl-3-hydro...)
Show SMILES O=C(C1C(N(Cc2ccccc2)C(=O)C1=O)c1ccco1)c1ccco1
Show InChI InChI=1S/C20H15NO5/c22-18(15-9-5-11-26-15)16-17(14-8-4-10-25-14)21(20(24)19(16)23)12-13-6-2-1-3-7-13/h1-11,16-17H,12H2
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8.10E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM37790
PNG
(6,6-dimethyl-9-(3-methyl-2-thienyl)-1,5,7,9-tetrah...)
Show SMILES Cc1ccsc1C1C2C(=O)CC(C)(C)CC2=Nc2ncnn12 |c:17|
Show InChI InChI=1S/C16H18N4OS/c1-9-4-5-22-14(9)13-12-10(6-16(2,3)7-11(12)21)19-15-17-8-18-20(13)15/h4-5,8,12-13H,6-7H2,1-3H3
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8.20E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM37619
PNG
((4Z)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-1-(2-...)
Show SMILES CCOc1cccc(c1)C(=O)C1C(N(CCOC)C(=O)C1=O)c1ccc(C)o1
Show InChI InChI=1S/C21H23NO6/c1-4-27-15-7-5-6-14(12-15)19(23)17-18(16-9-8-13(2)28-16)22(10-11-26-3)21(25)20(17)24/h5-9,12,17-18H,4,10-11H2,1-3H3
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8.80E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM37628
PNG
(1-Benzyl-4-(furan-2-carbonyl)-3-hydroxy-5-pyridin-...)
Show SMILES O=C(C1C(N(Cc2ccccc2)C(=O)C1=O)c1ccncc1)c1ccco1
Show InChI InChI=1S/C21H16N2O4/c24-19(16-7-4-12-27-16)17-18(15-8-10-22-11-9-15)23(21(26)20(17)25)13-14-5-2-1-3-6-14/h1-12,17-18H,13H2
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8.90E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM40412
PNG
(3-pyridinecarboxylic acid [3-(3,4-dimethoxyphenyl)...)
Show SMILES COc1ccc(cc1OC)-c1c(oc2cc(OC(=O)c3cccnc3)ccc2c1=O)C(F)(F)F
Show InChI InChI=1S/C24H16F3NO6/c1-31-17-8-5-13(10-19(17)32-2)20-21(29)16-7-6-15(11-18(16)34-22(20)24(25,26)27)33-23(30)14-4-3-9-28-12-14/h3-12H,1-2H3
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8.90E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Z31X1B
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM37760
PNG
(1-(3-imidazol-1-ylpropyl)-3-(5-methylfuran-2-yl)ca...)
Show SMILES CCCOc1ccc(cc1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1CCCn1ccnc1
Show InChI InChI=1S/C25H27N3O5/c1-3-15-32-19-8-6-18(7-9-19)22-21(23(29)20-10-5-17(2)33-20)24(30)25(31)28(22)13-4-12-27-14-11-26-16-27/h5-11,14,16,21-22H,3-4,12-13,15H2,1-2H3
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9.00E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM37621
PNG
(3-(4-Chloro-phenyl)-2-methyl-4,5,6,7-tetrahydro-cy...)
Show SMILES Cc1[nH]n2c(nc3CCCc3c2=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H14ClN3O/c1-9-14(10-5-7-11(17)8-6-10)15-18-13-4-2-3-12(13)16(21)20(15)19-9/h5-8,19H,2-4H2,1H3
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9.20E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50026604
PNG
(1,2-Diphenyl-3,5-dioxo-4-(2-phenylsulfinylethyl)py...)
Show SMILES Oc1c(CCS(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1-c1ccccc1
Show InChI InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,26H,16-17H2
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9.40E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1R03MH076381-01 Assay for Formylpeptide Receptor Family Ligands PI: Bruce S. Edwards, Ph...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2NZ862K
More data for this
Ligand-Target Pair
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