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Compile Data Set for Download or QSAR

Found 145 hits Enz. Inhib. hit(s) with all data for entry = 50018505   
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
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM350546
PNG
(US10208071, Compound 8 | US10434112, Compound 90 |...)
Show SMILES CC(C)C[C@H](NC(=O)Nc1ccc(Br)cc1)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C15H20BrN3O4/c1-9(2)7-12(14(22)17-8-13(20)21)19-15(23)18-11-5-3-10(16)4-6-11/h3-6,9,12H,7-8H2,1-2H3,(H,17,22)(H,20,21)(H2,18,19,23)/t12-/m0/s1
PDB

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n/an/an/an/a 0.780n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50608805
PNG
(CHEMBL5289577)
Show SMILES CC(C)C[C@@H](NC(=O)Nc1ccc(Br)cc1)C(=O)NCC(O)=O |r|
PDB

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n/an/an/an/a 1.23E+3n/an/an/an/a


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More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM350545
PNG
(US10208071, Compound 7 | US10434112, Compound 7 | ...)
Show SMILES CC(C)C[C@H](NC(=O)Nc1ccc(Br)cc1F)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C15H19BrFN3O4/c1-8(2)5-12(14(23)18-7-13(21)22)20-15(24)19-11-4-3-9(16)6-10(11)17/h3-4,6,8,12H,5,7H2,1-2H3,(H,18,23)(H,21,22)(H2,19,20,24)/t12-/m0/s1
PDB

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n/an/an/an/a 3.60n/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50608806
PNG
(CHEMBL5284816)
Show SMILES CC(C)C(C(C)NC(=O)Nc1ccc(Br)cc1)C(O)=O
PDB

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n/an/an/an/a 51n/an/an/an/a


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More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50608806
PNG
(CHEMBL5284816)
Show SMILES CC(C)C(C(C)NC(=O)Nc1ccc(Br)cc1)C(O)=O
PDB

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n/an/an/an/a 13n/an/an/an/a


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More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50608806
PNG
(CHEMBL5284816)
Show SMILES CC(C)C(C(C)NC(=O)Nc1ccc(Br)cc1)C(O)=O
PDB

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n/an/an/an/a 98n/an/an/an/a


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More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50608806
PNG
(CHEMBL5284816)
Show SMILES CC(C)C(C(C)NC(=O)Nc1ccc(Br)cc1)C(O)=O
PDB

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n/an/an/an/a 1.70n/an/an/an/a


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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50608807
PNG
(CHEMBL5276622)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)Nc1ccc(Br)cc1)C(O)=O |r|
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n/an/an/an/a 0.580n/an/an/an/a


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More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50608806
PNG
(CHEMBL5284816)
Show SMILES CC(C)C(C(C)NC(=O)Nc1ccc(Br)cc1)C(O)=O
PDB

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More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50608806
PNG
(CHEMBL5284816)
Show SMILES CC(C)C(C(C)NC(=O)Nc1ccc(Br)cc1)C(O)=O
PDB

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n/an/an/an/a 3.24E+3n/an/an/an/a


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More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50608806
PNG
(CHEMBL5284816)
Show SMILES CC(C)C(C(C)NC(=O)Nc1ccc(Br)cc1)C(O)=O
PDB

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n/an/an/an/a 9.94E+3n/an/an/an/a


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Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50608806
PNG
(CHEMBL5284816)
Show SMILES CC(C)C(C(C)NC(=O)Nc1ccc(Br)cc1)C(O)=O
PDB

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n/an/an/an/a 25n/an/an/an/a


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Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50608807
PNG
(CHEMBL5276622)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)Nc1ccc(Br)cc1)C(O)=O |r|
PDB

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n/an/an/an/a 224n/an/an/an/a


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Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50608808
PNG
(CHEMBL5284903)
Show SMILES CC(C)C[C@H](NC(=O)CCNC(=O)Nc1ccc(Br)cc1)C(O)=O |r|
PDB

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n/an/an/an/a 5.63E+3n/an/an/an/a


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Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50608809
PNG
(CHEMBL5280317)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)Nc1ccc(Br)cc1 |r|
PDB

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n/an/an/an/a 356n/an/an/an/a


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Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50608810
PNG
(CHEMBL5276878)
Show SMILES CCC[C@H](NC(=O)CNC(=O)Nc1ccc(Br)cc1)C(O)=O |r|
PDB

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n/an/an/an/a 308n/an/an/an/a


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Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50608811
PNG
(CHEMBL5279215)
Show SMILES COc1ccc(NC(=O)N[C@@H](Cc2ccc(cc2)C#N)C(=O)NCC2(CC2)c2ccc(O)cc2)cc1 |r|
PDB

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n/an/an/an/a 1.60E+3n/an/an/an/a


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Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50608812
PNG
(CHEMBL5274109)
Show SMILES COc1ccc(NC(=O)N[C@H](Cc2ccc(cc2)C#N)C(=O)NCC2(CC2)c2ccc(O)cc2)cc1 |r|
PDB

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n/an/an/an/a 7.00E+3n/an/an/an/a


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Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50608813
PNG
(CHEMBL5265989)
Show SMILES COc1ccc(NC(=O)N[C@@H](Cc2ccc(cc2)C#N)C(=O)NCC2(CC2)c2cccc(O)c2)cc1 |r|
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n/an/an/an/a 180n/an/an/an/a


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Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50608814
PNG
(CHEMBL5267880)
Show SMILES COc1ccc(NC(=O)N[C@H](Cc2ccc(cc2)C#N)C(=O)NCC2(CC2)c2cccc(O)c2)cc1 |r|
PDB

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n/an/an/an/a 7.00E+3n/an/an/an/a


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Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50608815
PNG
(CHEMBL5280794)
Show SMILES COc1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC2(CC2)c2ccccc2)cc1 |r|
PDB

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n/an/an/an/a 2.90E+3n/an/an/an/a


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Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50608816
PNG
(CHEMBL5282050)
Show SMILES COc1ccc(NC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NCC2(CC2)c2ccccc2)cc1 |r|
PDB

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n/an/an/an/a 410n/an/an/an/a


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Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50608817
PNG
(CHEMBL5278883)
Show SMILES COc1cccc(c1)-c1cc(C#N)c(C)n(CC(=O)Nc2ccc(Br)cc2)c1=O
PDB

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Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50608818
PNG
(CHEMBL5285738)
Show SMILES Brc1ccc(NC(=O)Cn2c(=O)[nH]cc(-c3ccccc3)c2=O)cc1
PDB

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n/an/an/an/a 8.90E+3n/an/an/an/a


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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50608811
PNG
(CHEMBL5279215)
Show SMILES COc1ccc(NC(=O)N[C@@H](Cc2ccc(cc2)C#N)C(=O)NCC2(CC2)c2ccc(O)cc2)cc1 |r|
PDB

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n/an/an/an/a 1.30E+3n/an/an/an/a


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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50608813
PNG
(CHEMBL5265989)
Show SMILES COc1ccc(NC(=O)N[C@@H](Cc2ccc(cc2)C#N)C(=O)NCC2(CC2)c2cccc(O)c2)cc1 |r|
PDB

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n/an/an/an/a 1.40E+3n/an/an/an/a


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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50608815
PNG
(CHEMBL5280794)
Show SMILES COc1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC2(CC2)c2ccccc2)cc1 |r|
PDB

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n/an/an/an/a 1.50E+3n/an/an/an/a


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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50608816
PNG
(CHEMBL5282050)
Show SMILES COc1ccc(NC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NCC2(CC2)c2ccccc2)cc1 |r|
PDB

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n/an/an/an/a 5.10E+3n/an/an/an/a


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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50608817
PNG
(CHEMBL5278883)
Show SMILES COc1cccc(c1)-c1cc(C#N)c(C)n(CC(=O)Nc2ccc(Br)cc2)c1=O
PDB

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n/an/an/an/a 1.60E+3n/an/an/an/a


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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50608818
PNG
(CHEMBL5285738)
Show SMILES Brc1ccc(NC(=O)Cn2c(=O)[nH]cc(-c3ccccc3)c2=O)cc1
PDB

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n/an/an/an/a 1.25E+4n/an/an/an/a


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Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50608819
PNG
(CHEMBL5271505)
Show SMILES COc1cccc(Cc2c(C)c(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)c1
PDB

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Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50608820
PNG
(CHEMBL5284145)
Show SMILES COc1ccc(Cc2c(C)c(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)cc1
PDB

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Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50608821
PNG
(CHEMBL5279627)
Show SMILES COc1cccc(Cc2c(c(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)-c2ccccc2)c1
PDB

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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50608819
PNG
(CHEMBL5271505)
Show SMILES COc1cccc(Cc2c(C)c(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)c1
PDB

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n/an/an/an/a 19n/an/an/an/a


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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50608820
PNG
(CHEMBL5284145)
Show SMILES COc1ccc(Cc2c(C)c(C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)cc1
PDB

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n/an/an/an/a 900n/an/an/an/a


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Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50608822
PNG
(CHEMBL5277178)
Show SMILES COc1ccc2cc(ccc2c1)C1(CC1)NC(=O)N[C@H]1[C@@H](CNC1=O)c1c(F)cc(OC)cc1F |r|
PDB

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Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50608823
PNG
(CHEMBL5283221)
Show SMILES COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)NC2(CC2)c2cccc(c2)C(F)(F)F)c(F)c1 |r|
PDB

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Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50608824
PNG
(CHEMBL5273172)
Show SMILES COc1cc(F)c([C@@H]2CN(CC3CC3)C(=O)[C@H]2NC(=O)NC2(CC2)c2cccc(C)n2)c(F)c1 |r|
PDB

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n/an/an/an/a<10n/an/an/an/a


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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50608809
PNG
(CHEMBL5280317)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)Nc1ccc(Br)cc1 |r|
PDB

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n/an/an/an/a 15n/an/an/an/a


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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM50608810
PNG
(CHEMBL5276878)
Show SMILES CCC[C@H](NC(=O)CNC(=O)Nc1ccc(Br)cc1)C(O)=O |r|
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n/an/an/an/a 4.90n/an/an/an/a


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Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50608825
PNG
(CHEMBL5273369)
Show SMILES COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)NC2(CC2)c2cccc(C)n2)c(F)c1 |r|
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More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50608826
PNG
(CHEMBL5265888)
Show SMILES Cc1cccc(n1)C1(CC1)NC(=O)N[C@H]1[C@@H](CNC1=O)c1c(F)cc(Br)cc1F |r|
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More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50608827
PNG
(CHEMBL5281612)
Show SMILES Cc1cccc(n1)C1(CC1)NC(=O)N[C@H]1[C@@H](CNC1=O)c1c(F)cc(Cl)cc1F |r|
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More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50608828
PNG
(CHEMBL5284060)
Show SMILES CP(C)(=O)c1ccccc1-c1ccc(N2CC[C@@H](NC(=O)Nc3ccc(Cl)cc3)C2=O)c(F)c1F |r|
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More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM450316
PNG
(US10676431, Example 79 | US11117861, Example 79)
Show SMILES FC(F)n1cc(cn1)-c1ccc(N2CC[C@@H](NC(=O)Nc3ccc(Cl)cc3F)C2=O)c(F)c1F |r|
Show InChI InChI=1S/C21H15ClF5N5O2/c22-11-1-3-14(13(23)7-11)29-21(34)30-15-5-6-31(19(15)33)16-4-2-12(17(24)18(16)25)10-8-28-32(9-10)20(26)27/h1-4,7-9,15,20H,5-6H2,(H2,29,30,34)/t15-/m1/s1
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More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM450362
PNG
(US10676431, Example 125 | US10676431, Example 126 ...)
Show SMILES CP(C)(=O)c1ccccc1-c1ccc(N2CC(CO)[C@@H](NC(=O)Nc3ccc(Cl)cc3F)C2=O)c(F)c1F |r|
Show InChI InChI=1S/C26H24ClF3N3O4P/c1-38(2,37)21-6-4-3-5-16(21)17-8-10-20(23(30)22(17)29)33-12-14(13-34)24(25(33)35)32-26(36)31-19-9-7-15(27)11-18(19)28/h3-11,14,24,34H,12-13H2,1-2H3,(H2,31,32,36)/t14?,24-/m1/s1
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More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM450369
PNG
(US10676431, Example 132 | US11117861, Example 132)
Show SMILES CP(C)(=O)c1ccccc1-c1ccc(N2CC3(CC3)[C@@H](NC(=O)Nc3ccc(Cl)cc3F)C2=O)c(F)c1F |r|
Show InChI InChI=1S/C27H24ClF3N3O3P/c1-38(2,37)21-6-4-3-5-16(21)17-8-10-20(23(31)22(17)30)34-14-27(11-12-27)24(25(34)35)33-26(36)32-19-9-7-15(28)13-18(19)29/h3-10,13,24H,11-12,14H2,1-2H3,(H2,32,33,36)/t24-/m0/s1
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n/an/an/an/a 0.480n/an/an/an/a


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More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50608829
PNG
(CHEMBL5271664)
Show SMILES NC(=O)c1ccccc1-c1ccc(cc1)N1CCCC(NC(=O)Nc2ccc(cc2)C(F)(F)F)C1=O
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More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM50608830
PNG
(CHEMBL5287828)
Show SMILES NC(=O)c1ccccc1-c1ccc(cc1)N1CCC[C@H](NC(=O)Nc2ccc(cc2)C(F)(F)F)C1=O |r|
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More data for this
Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM454195
PNG
(US10717708, Example 139 | US11186544, Example 139 ...)
Show SMILES NC(=O)c1ccccc1-c1ccc(cc1)N1CCC[C@@H](NC(=O)Nc2ccc(cc2)C(F)(F)F)C1=O |r|
Show InChI InChI=1S/C26H23F3N4O3/c27-26(28,29)17-9-11-18(12-10-17)31-25(36)32-22-6-3-15-33(24(22)35)19-13-7-16(8-14-19)20-4-1-2-5-21(20)23(30)34/h1-2,4-5,7-14,22H,3,6,15H2,(H2,30,34)(H2,31,32,36)/t22-/m1/s1
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More data for this
Ligand-Target Pair
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