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Compile Data Set for Download or QSAR

Found 1653 hits of ec50 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))
BDBM632130
PNG
(US20230348426, Example 400)
Show SMILES COc1cc(F)c([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)(F)F)cc2)c2c(C)ccn(CC(C)O)c2=O)c(F)c1 |w:34.36|
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM620564
PNG
(US20230303513, Example 12 | US20230303513, Example...)
Show SMILES CCn1cccc(N2C[C@H]([C@H](NC(=O)NC3CCc4cc(OC)ccc4C3)C2=O)c2ccc(OC)cc2)c1=O |r|
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM620557
PNG
(US20230303513, Example 16 | US20230303513, Example...)
Show SMILES COCCn1cccc(N2C[C@H]([C@H](NC(=O)NC3CCc4cc(Cl)ccc4C3)C2=O)c2ccc(OC)cc2)c1=O |r|
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM632157
PNG
(US20230348426, Example 427 | US20230348426, Exampl...)
Show SMILES COCC(CO)n1ccc(C)c(N2C[C@H]([C@H](NC(=O)c3ccc(OC(F)(F)F)cc3)C2=O)c2c(F)cc(OC)cc2F)c1=O
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM631787
PNG
(US20230348426, Example 57)
Show SMILES COc1ccc(cc1)[C@@H]1CN(C(=O)[C@H]1NC(=O)c1ccc(OC(F)(F)F)cc1)c1c(C)ccn(CC2CC2)c1=O
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM631879
PNG
(US20230348426, Example 149)
Show SMILES COCC(C(=O)N(C)C)n1ccc(C)c(N2C[C@H]([C@H](NC(=O)c3ccc(OC(F)(F)F)cc3)C2=O)c2c(F)cc(OC)cc2F)c1=O |w:2.2|
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM632027
PNG
(US20230348426, Example 297)
Show SMILES COC(Cn1ccc(C)c(N2C[C@H]([C@H](NC(=O)c3ccc(OC(F)(F)F)cc3)C2=O)c2c(F)cc(OC)cc2F)c1=O)C(F)(F)F |w:2.45|
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM620558
PNG
(US20230303513, Example 6 | US20230303513, Example ...)
Show SMILES CCn1cccc(N2C[C@H]([C@H](NC(=O)NC3CCc4cc(Cl)ccc4C3)C2=O)c2ccc(OC)cc2)c1=O |r|
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM620563
PNG
(US20230303513, Example 11 | US20230303513, Example...)
Show SMILES COCCn1cccc(N2C[C@H]([C@H](NC(=O)NC3CCc4cc(OC)ccc4C3)C2=O)c2ccc(OC)cc2)c1=O |r|
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM631908
PNG
(US20230348426, Example 178)
Show SMILES COCCn1ccc(C)c(N2C[C@H]([C@H](NC(=O)c3ccc(OC(F)(F)F)cc3)C2=O)c2ccc(OC)cc2)c1=O
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM632189
PNG
(US20230348426, Example 459 | US20230348426, Exampl...)
Show SMILES COc1ccc(cc1)[C@@H]1CN(C(=O)[C@H]1NC(=O)c1ccc(OC(F)F)cc1)c1c(C)ccn(CC2CC2)c1=O
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM620567
PNG
(US20230303513, Example 15 | US20230303513, Example...)
Show SMILES COc1ccc2CC(CCc2c1)NC(=O)N[C@H]1[C@@H]([C@H](C)N(C1=O)c1ncccc1OC)c1c(F)cc(OC)cc1F |r|
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM632179
PNG
(US20230348426, Example 449 | US20230348426, Exampl...)
Show SMILES COCC(CO)n1ccc(C)c(N2C[C@H]([C@H](NC(=O)c3ccc(OC(F)(F)F)cc3)C2=O)c2ccc(OC)cc2)c1=O
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM632307
PNG
(US20230348426, Example 577)
Show SMILES COc1ccc(cc1)[C@@H]1CN(C(=O)[C@H]1NC(=O)c1ccc(OC(F)F)cc1)c1c(C)ccn(C2CCC2)c1=O
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM632417
PNG
(US20230348426, Example 687)
Show SMILES COc1ccc(cc1)[C@@H]1CN(C(=O)[C@H]1NC(=O)c1ccc(OC(F)(F)F)cc1)c1c(C)ccn(C2CCC2)c1=O
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM620593
PNG
(US20230303513, Example 34 | US20230303513, Example...)
Show SMILES COCCn1cccc(N2C[C@H]([C@H](NC(=O)NC3CCc4cc(OC)ccc4C3)C2=O)c2c(F)cc(OC)cc2F)c1=O |r|
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM632189
PNG
(US20230348426, Example 459 | US20230348426, Exampl...)
Show SMILES COc1ccc(cc1)[C@@H]1CN(C(=O)[C@H]1NC(=O)c1ccc(OC(F)F)cc1)c1c(C)ccn(CC2CC2)c1=O
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM620645
PNG
(US20230303513, Example 86 | US20230303513, Example...)
Show SMILES CCn1nccc(N2C[C@H]([C@H](NC(=O)NC3CCc4cc(OC)ccc4C3)C2=O)c2c(F)cc(OC)cc2F)c1=O |r|
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM620642
PNG
(US20230303513, Example 83 | US20230303513, Example...)
Show SMILES COc1ccc2CC(CCc2c1)NC(=O)N[C@H]1[C@@H](CN(C1=O)c1c(C)ccn(CCO)c1=O)c1c(F)cc(OC)cc1F |r|
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM620580
PNG
(US20230303513, Example 21)
Show SMILES COc1ccc2CC(CCc2c1)NC(=O)N[C@H]1[C@@H](CN(C1=O)c1cccn(CCO)c1=O)c1c(F)cc(OC)cc1F |r|
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM631838
PNG
(US20230348426, Example 108)
Show SMILES COc1ccc(cc1)[C@@H]1CN(C(=O)[C@H]1NC(=O)c1ccc(OC(F)(F)F)cc1)c1c(C)ccn(CCO)c1=O
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM632044
PNG
(US20230348426, Example 314)
Show SMILES COC(Cn1ccc(C)c(N2C[C@H]([C@H](NC(=O)c3ccc(OC(F)F)cc3)C2=O)c2c(F)cc(OC)cc2F)c1=O)C(F)(F)F |w:2.44|
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM620562
PNG
(US20230303513, Example 10 | US20230303513, Example...)
Show SMILES COc1cc(F)c([C@@H]2CN(C(=O)[C@H]2NC(=O)NC2CCc3cc(Cl)ccc3C2)c2ncccc2C(F)(F)F)c(F)c1 |r|
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM632042
PNG
(US20230348426, Example 312)
Show SMILES COc1ccc([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)(F)F)cc2)c2c(C)ccn(CC3CC3)c2=O)c(F)c1
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM620596
PNG
(US20230303513, Example 37 | US20230303513, Example...)
Show SMILES CCn1cccc(N2C[C@H]([C@H](NC(=O)NC3CCc4cc(OC)ccc4C3)C2=O)c2c(F)cc(OC)cc2F)c1=O |r|
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM632179
PNG
(US20230348426, Example 449 | US20230348426, Exampl...)
Show SMILES COCC(CO)n1ccc(C)c(N2C[C@H]([C@H](NC(=O)c3ccc(OC(F)(F)F)cc3)C2=O)c2ccc(OC)cc2)c1=O
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM631881
PNG
(US20230348426, Example 151)
Show SMILES COc1cc(F)c([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)(F)F)cc2)c2c(C)ccn(CC3CC3)c2=O)c(F)c1
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM620560
PNG
(US20230303513, Example 8)
Show SMILES COc1cc(F)c([C@@H]2CN(C(=O)[C@H]2NC(=O)NC2CCc3cc(Cl)ccc3C2)c2c(OC)ccn(C)c2=O)c(F)c1 |r,w:16.17|
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM620603
PNG
(US20230303513, Example 44 | US20230303513, Example...)
Show SMILES COCCn1cccc(N2C[C@H]([C@H](NC(=O)NC3CCc4cc(OC)ccc4C3)C2=O)c2ccc(Cl)cc2)c1=O |r|
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM454202
PNG
(US10717708, Example 183 | US11186544, Example 183 ...)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(cc1)N1CCC[C@@H](NC(=O)Nc2ccc(Cl)cc2)C1=O |r|
Show InChI InChI=1S/C28H31ClN4O4S/c1-28(2,3)32-38(36,37)25-9-5-4-7-23(25)19-10-16-22(17-11-19)33-18-6-8-24(26(33)34)31-27(35)30-21-14-12-20(29)13-15-21/h4-5,7,9-17,24,32H,6,8,18H2,1-3H3,(H2,30,31,35)/t24-/m1/s1
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US Patent
n/an/an/an/a 0.560n/an/an/an/a


TBA

Assay Description
A mixture of forskolin (5 μM final for FPR2 or 10 μM final for FPR1) and IBMX (200 μM final) were added to 384-well Proxiplates (Perki...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2B56NXP
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM454202
PNG
(US10717708, Example 183 | US11186544, Example 183 ...)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(cc1)N1CCC[C@@H](NC(=O)Nc2ccc(Cl)cc2)C1=O |r|
Show InChI InChI=1S/C28H31ClN4O4S/c1-28(2,3)32-38(36,37)25-9-5-4-7-23(25)19-10-16-22(17-11-19)33-18-6-8-24(26(33)34)31-27(35)30-21-14-12-20(29)13-15-21/h4-5,7,9-17,24,32H,6,8,18H2,1-3H3,(H2,30,31,35)/t24-/m1/s1
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n/an/an/an/a 0.560n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays. A mixture of forskolin (5 μM final for FPR2 or 10 μM final for FPR1) and IBMX (...


US Patent US10717708 (2020)


BindingDB Entry DOI: 10.7270/Q2FB560G
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50608807
PNG
(CHEMBL5276622)
PDB

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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM632080
PNG
(US20230348426, Example 350 | US20230348426, Exampl...)
Show SMILES COc1cc(F)c([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)(F)F)cc2)c2c(C)ccn(C3CCOC3)c2=O)c(F)c1
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM632025
PNG
(US20230348426, Example 295)
Show SMILES COCC(C(=O)N(C)C)n1ccc(C)c(N2C[C@H]([C@H](NC(=O)c3ccc(OC(F)F)cc3)C2=O)c2ccc(OC)cc2)c1=O |w:3.2|
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM632069
PNG
(US20230348426, Example 339)
Show SMILES COCCn1ccc(C)c(N2C[C@H]([C@H](NC(=O)c3ccc(OC(F)(F)F)cc3)C2=O)c2ccc(Cl)cc2)c1=O
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM620576
PNG
(US20230303513, Example 17 | US20230303513, Example...)
Show SMILES COCCn1cccc(N2C[C@H]([C@H](NC(=O)NC3CCc4cc(Cl)ccc4C3)C2=O)c2c(F)cc(OC)cc2F)c1=O |r|
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM631913
PNG
(US20230348426, Example 183)
Show SMILES CCn1ccc(C)c(N2C[C@H]([C@H](NC(=O)c3ccc(OC(F)(F)F)cc3)C2=O)c2ccc(OC)cc2F)c1=O
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM632430
PNG
(US20230348426, Example 700)
Show SMILES COc1ccc(cc1)[C@@H]1CN(C(=O)[C@H]1NC(=O)c1ccc(OC(F)(F)F)cc1)c1c(C)ccn(CC2CCOCC2)c1=O
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM620559
PNG
(US20230303513, Example 7)
Show SMILES COCCn1ccc(C)c(N2C[C@H]([C@H](NC(=O)NC3CCc4cc(OC)ccc4C3)C2=O)c2c(F)cc(OC)cc2F)c1=O |r,w:17.17|
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM632413
PNG
(US20230348426, Example 683 | US20230348426, Exampl...)
Show SMILES COc1cc(F)c([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)(F)F)cc2)c2c(C)ccn(CC(O)C3CC3)c2=O)c(F)c1
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM631915
PNG
(US20230348426, Example 185)
Show SMILES COCCn1ccc(C)c(N2C[C@H]([C@H](NC(=O)c3ccc(OC(F)(F)F)cc3)C2=O)c2c(F)cc(OC)cc2F)c1=O
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More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM631978
PNG
(US20230348426, Example 248)
Show SMILES COCC(C(=O)N(C)C)n1ccc(C)c(N2C[C@H]([C@H](NC(=O)c3ccc(OC(F)(F)F)cc3)C2=O)c2c(F)cc(OC)cc2F)c1=O |w:3.2|
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM631861
PNG
(US20230348426, Example 131)
Show SMILES COCC(C(=O)N1CCOCC1)n1ccc(C)c(N2C[C@H]([C@H](NC(=O)c3ccc(OC(F)F)cc3)C2=O)c2c(F)cc(OC)cc2F)c1=O |w:3.2|
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM631862
PNG
(US20230348426, Example 132)
Show SMILES COc1ccc(cc1)[C@@H]1CN(C(=O)[C@H]1NC(=O)c1ccc(OC(F)(F)F)cc1)c1c(C)ccn(C2CCOC2)c1=O |w:33.36|
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM620566
PNG
(US20230303513, Example 14 | US20230303513, Example...)
Show SMILES COc1cc(F)c([C@@H]2CN(C(=O)[C@H]2NC(=O)NC2CCc3cc(Cl)ccc3C2)c2cccn(CCO)c2=O)c(F)c1 |r|
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM632188
PNG
(US20230348426, Example 458)
Show SMILES COc1cc(F)c([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)(F)F)cc2)c2c(C)ccn(C3CCC3)c2=O)c(F)c1
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM631922
PNG
(US20230348426, Example 192)
Show SMILES COc1ccc([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)F)cc2)c2c(C)ccn(CC3CC3)c2=O)c(F)c1
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More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM632018
PNG
(US20230348426, Example 288)
Show SMILES COCCn1ccc(C)c(N2C[C@H]([C@H](NC(=O)c3ccc(OC(F)(F)F)cc3)C2=O)c2ccc(OC)cc2F)c1=O
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM620564
PNG
(US20230303513, Example 12 | US20230303513, Example...)
Show SMILES CCn1cccc(N2C[C@H]([C@H](NC(=O)NC3CCc4cc(OC)ccc4C3)C2=O)c2ccc(OC)cc2)c1=O |r|
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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM620640
PNG
(US20230303513, Example 81 | US20230303513, Example...)
Show SMILES COCC(CO)n1cccc(N2C[C@H]([C@H](NC(=O)NC3CCc4cc(OC)ccc4C3)C2=O)c2c(F)cc(OC)cc2F)c1=O |r|
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Ligand-Target Pair
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