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Compile Data Set for Download or QSAR

Found 2107 hits with Last Name = 'chattopadhyay' and Initial = 'ak'   
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))
BDBM631769
PNG
(US20230348426, Example 39)
Show SMILES COc1cc(F)c([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(Cl)cc2)c2ncccc2OC)c(F)c1
PDB

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n/an/an/an/a 72n/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM631770
PNG
(US20230348426, Example 40)
Show SMILES COc1cc(F)c([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(Cl)cc2)c2cc(OC)cc(n2)N2C[C@@H]3C[C@H]2CN3C)c(F)c1 |THB:29:31:37.36:34,38:37:31.32:34|
PDB

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n/an/an/an/a 0.600n/an/an/an/a


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


(Homo sapiens (Human))
BDBM631770
PNG
(US20230348426, Example 40)
Show SMILES COc1cc(F)c([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(Cl)cc2)c2cc(OC)cc(n2)N2C[C@@H]3C[C@H]2CN3C)c(F)c1 |THB:29:31:37.36:34,38:37:31.32:34|
PDB

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n/an/an/an/a 2.60E+3n/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM631771
PNG
(US20230348426, Example 41 | US20230348426, Example...)
Show SMILES COCC(CN)n1cccc(N2C[C@H]([C@H](NC(=O)c3ccc(OC(F)F)cc3)C2=O)c2c(F)cc(OC)cc2F)c1=O
PDB

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


(Homo sapiens (Human))
BDBM631771
PNG
(US20230348426, Example 41 | US20230348426, Example...)
Show SMILES COCC(CN)n1cccc(N2C[C@H]([C@H](NC(=O)c3ccc(OC(F)F)cc3)C2=O)c2c(F)cc(OC)cc2F)c1=O
PDB

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n/an/an/an/a 110n/an/an/an/a


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


(Homo sapiens (Human))
BDBM631772
PNG
(US20230348426, Example 42)
Show SMILES COc1cc(F)c([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)F)cc2)c2nc(ccc2F)N2C[C@H](C)N(C)[C@H](C)C2)c(F)c1
PDB

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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM631772
PNG
(US20230348426, Example 42)
Show SMILES COc1cc(F)c([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)F)cc2)c2nc(ccc2F)N2C[C@H](C)N(C)[C@H](C)C2)c(F)c1
PDB

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n/an/an/an/a 730n/an/an/an/a


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Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM631773
PNG
(US20230348426, Example 43)
Show SMILES COc1cc(F)c([C@@H]2[C@H](C)N(C(=O)[C@H]2NC(=O)c2ccc(Cl)cc2)c2ncccc2OC(C)C)c(F)c1
PDB

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n/an/an/an/a 0.800n/an/an/an/a


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


(Homo sapiens (Human))
BDBM631773
PNG
(US20230348426, Example 43)
Show SMILES COc1cc(F)c([C@@H]2[C@H](C)N(C(=O)[C@H]2NC(=O)c2ccc(Cl)cc2)c2ncccc2OC(C)C)c(F)c1
PDB

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


(Homo sapiens (Human))
BDBM631771
PNG
(US20230348426, Example 41 | US20230348426, Example...)
Show SMILES COCC(CN)n1cccc(N2C[C@H]([C@H](NC(=O)c3ccc(OC(F)F)cc3)C2=O)c2c(F)cc(OC)cc2F)c1=O
PDB

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


(Homo sapiens (Human))
BDBM631771
PNG
(US20230348426, Example 41 | US20230348426, Example...)
Show SMILES COCC(CN)n1cccc(N2C[C@H]([C@H](NC(=O)c3ccc(OC(F)F)cc3)C2=O)c2c(F)cc(OC)cc2F)c1=O
PDB

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


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Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM631775
PNG
(US20230348426, Example 45)
Show SMILES COc1ccc([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)(F)F)cc2)c2cccn(CC(F)F)c2=O)c(F)c1
PDB

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


(Homo sapiens (Human))
BDBM631775
PNG
(US20230348426, Example 45)
Show SMILES COc1ccc([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)(F)F)cc2)c2cccn(CC(F)F)c2=O)c(F)c1
PDB

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Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM631776
PNG
(US20230348426, Example 46)
Show SMILES COc1cc(F)c([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)F)cc2)c2nc(ccc2F)N2CCC2=O)c(F)c1
PDB

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


(Homo sapiens (Human))
BDBM631776
PNG
(US20230348426, Example 46)
Show SMILES COc1cc(F)c([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)F)cc2)c2nc(ccc2F)N2CCC2=O)c(F)c1
PDB

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n/an/an/an/a 2n/an/an/an/a


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Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM631777
PNG
(US20230348426, Example 155 | US20230348426, Exampl...)
Show SMILES COc1cc(F)c([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)(F)F)cc2)c2cccn(CC(O)C(F)(F)F)c2=O)c(F)c1
PDB

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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM631777
PNG
(US20230348426, Example 155 | US20230348426, Exampl...)
Show SMILES COc1cc(F)c([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)(F)F)cc2)c2cccn(CC(O)C(F)(F)F)c2=O)c(F)c1
PDB

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Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM631778
PNG
(US20230348426, Example 48)
Show SMILES COc1cc(F)c([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)F)cc2)c2cccc(n2)N2C[C@H](C)N(C)[C@H](C)C2)c(F)c1
PDB

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


(Homo sapiens (Human))
BDBM631778
PNG
(US20230348426, Example 48)
Show SMILES COc1cc(F)c([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)F)cc2)c2cccc(n2)N2C[C@H](C)N(C)[C@H](C)C2)c(F)c1
PDB

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n/an/an/an/a 940n/an/an/an/a


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


(Homo sapiens (Human))
BDBM631779
PNG
(US20230348426, Example 49)
Show SMILES COc1cc(F)c([C@@H]2[C@@H](C)N(C(=O)[C@H]2NC(=O)c2ccc(Cl)cc2)c2cc(OC)cc(n2)N2C[C@@H]3C[C@H]2CN3C)c(F)c1
PDB

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


(Homo sapiens (Human))
BDBM631779
PNG
(US20230348426, Example 49)
Show SMILES COc1cc(F)c([C@@H]2[C@@H](C)N(C(=O)[C@H]2NC(=O)c2ccc(Cl)cc2)c2cc(OC)cc(n2)N2C[C@@H]3C[C@H]2CN3C)c(F)c1
PDB

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n/an/an/an/a 2.00E+3n/an/an/an/a


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Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM631780
PNG
(US20230348426, Example 50)
Show SMILES COc1cc(F)c([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)F)cc2)c2nc(ccc2F)N2C[C@H]3C[C@@H]2CN3C)c(F)c1 |TLB:28:33:38.39:36,40:39:33.34:36|
PDB

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n/an/an/an/a 1.20n/an/an/an/a


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


(Homo sapiens (Human))
BDBM631780
PNG
(US20230348426, Example 50)
Show SMILES COc1cc(F)c([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)F)cc2)c2nc(ccc2F)N2C[C@H]3C[C@@H]2CN3C)c(F)c1 |TLB:28:33:38.39:36,40:39:33.34:36|
PDB

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n/an/an/an/a 1.70E+3n/an/an/an/a


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Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM631781
PNG
(US20230348426, Example 51)
Show SMILES COc1cc(F)c([C@@H]2[C@H](C)N(C(=O)[C@H]2NC(=O)c2ccc(OC(F)F)cc2)c2cc(OC)cc(n2)N2C[C@@H]3C[C@H]2CN3C)c(F)c1
PDB

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


(Homo sapiens (Human))
BDBM631781
PNG
(US20230348426, Example 51)
Show SMILES COc1cc(F)c([C@@H]2[C@H](C)N(C(=O)[C@H]2NC(=O)c2ccc(OC(F)F)cc2)c2cc(OC)cc(n2)N2C[C@@H]3C[C@H]2CN3C)c(F)c1
PDB

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n/an/an/an/a 5.50E+3n/an/an/an/a


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Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM631782
PNG
(US20230348426, Example 52)
Show SMILES COc1cc(F)c([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)F)cc2)c2cccn(C(F)F)c2=O)c(F)c1
PDB

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


(Homo sapiens (Human))
BDBM631782
PNG
(US20230348426, Example 52)
Show SMILES COc1cc(F)c([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)F)cc2)c2cccn(C(F)F)c2=O)c(F)c1
PDB

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n/an/an/an/a 27n/an/an/an/a


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Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM631783
PNG
(US20230348426, Example 53 | US20230348426, Example...)
Show SMILES COCCn1cccc(N2C[C@H]([C@H](NC(=O)c3ccc(OC(F)(F)F)cc3)C2=O)c2ccc(OC)cc2F)c1=O
PDB

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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM631783
PNG
(US20230348426, Example 53 | US20230348426, Example...)
Show SMILES COCCn1cccc(N2C[C@H]([C@H](NC(=O)c3ccc(OC(F)(F)F)cc3)C2=O)c2ccc(OC)cc2F)c1=O
PDB

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Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM631784
PNG
(US20230348426, Example 54)
Show SMILES COc1cc(F)c([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)F)cc2)c2nc(ccc2F)N2CCN(C)CC2)c(F)c1
PDB

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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM631784
PNG
(US20230348426, Example 54)
Show SMILES COc1cc(F)c([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)F)cc2)c2nc(ccc2F)N2CCN(C)CC2)c(F)c1
PDB

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n/an/an/an/a 820n/an/an/an/a


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


(Homo sapiens (Human))
BDBM631785
PNG
(US20230348426, Example 55)
Show SMILES COc1ccc([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)F)cc2)c2cccn(CCC(F)(F)F)c2=O)c(F)c1
PDB

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Ligand-Target Pair
fMet-Leu-Phe receptor


(Homo sapiens (Human))
BDBM631785
PNG
(US20230348426, Example 55)
Show SMILES COc1ccc([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)F)cc2)c2cccn(CCC(F)(F)F)c2=O)c(F)c1
PDB

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n/an/an/an/a 8.60n/an/an/an/a


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Ligand-Target Pair
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM631783
PNG
(US20230348426, Example 53 | US20230348426, Example...)
Show SMILES COCCn1cccc(N2C[C@H]([C@H](NC(=O)c3ccc(OC(F)(F)F)cc3)C2=O)c2ccc(OC)cc2F)c1=O
PDB

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


(Homo sapiens (Human))
BDBM631783
PNG
(US20230348426, Example 53 | US20230348426, Example...)
Show SMILES COCCn1cccc(N2C[C@H]([C@H](NC(=O)c3ccc(OC(F)(F)F)cc3)C2=O)c2ccc(OC)cc2F)c1=O
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n/an/an/an/a 4n/an/an/an/a


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Ligand-Target Pair
N-formyl peptide receptor 2


(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
PDB

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n/an/an/an/a 1.40n/an/an/an/a


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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
N-formyl peptide receptor 2


(Homo sapiens (Human))
BDBM631788
PNG
(US20230348426, Example 58)
Show SMILES COc1cc(F)c([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)(F)F)cc2)c2nc(ccc2F)N2CCOCC2=O)c(F)c1
PDB

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


(Homo sapiens (Human))
BDBM631788
PNG
(US20230348426, Example 58)
Show SMILES COc1cc(F)c([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)(F)F)cc2)c2nc(ccc2F)N2CCOCC2=O)c(F)c1
PDB

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


(Homo sapiens (Human))
BDBM631731
PNG
(US20230348426, Example 1)
Show SMILES COc1cc(F)c(C2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)F)cc2)c2cccnc2C#N)c(F)c1
PDB

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


(Homo sapiens (Human))
BDBM631731
PNG
(US20230348426, Example 1)
Show SMILES COc1cc(F)c(C2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)F)cc2)c2cccnc2C#N)c(F)c1
PDB

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n/an/an/an/a 4.20E+3n/an/an/an/a


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


(Homo sapiens (Human))
BDBM631732
PNG
(US20230348426, Example 2)
Show SMILES COc1cc(F)c(C2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)F)cc2)c2ccc(=O)n(C)c2)c(F)c1
PDB

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


(Homo sapiens (Human))
BDBM631732
PNG
(US20230348426, Example 2)
Show SMILES COc1cc(F)c(C2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)F)cc2)c2ccc(=O)n(C)c2)c(F)c1
PDB

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n/an/an/an/a 86n/an/an/an/a


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


(Homo sapiens (Human))
BDBM631733
PNG
(US20230348426, Example 3)
Show SMILES COc1cc(F)c(C2CN(CC3CC3)C(=O)[C@H]2NC(=O)c2ccc(OC(F)F)cc2)c(F)c1
PDB

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


(Homo sapiens (Human))
BDBM631733
PNG
(US20230348426, Example 3)
Show SMILES COc1cc(F)c(C2CN(CC3CC3)C(=O)[C@H]2NC(=O)c2ccc(OC(F)F)cc2)c(F)c1
PDB

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n/an/an/an/a 1.70E+3n/an/an/an/a


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


(Homo sapiens (Human))
BDBM631734
PNG
(N-((3S, 4R)-4-(2, 6-Difluoro-4-methoxyphenyl)-2-ox...)
Show SMILES COc1cc(F)c([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)F)cc2)c2cccn(CC(O)C(F)(F)F)c2=O)c(F)c1
PDB

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


(Homo sapiens (Human))
BDBM631734
PNG
(N-((3S, 4R)-4-(2, 6-Difluoro-4-methoxyphenyl)-2-ox...)
Show SMILES COc1cc(F)c([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)F)cc2)c2cccn(CC(O)C(F)(F)F)c2=O)c(F)c1
PDB

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


(Homo sapiens (Human))
BDBM631734
PNG
(N-((3S, 4R)-4-(2, 6-Difluoro-4-methoxyphenyl)-2-ox...)
Show SMILES COc1cc(F)c([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)F)cc2)c2cccn(CC(O)C(F)(F)F)c2=O)c(F)c1
PDB

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n/an/an/an/a 2.90n/an/an/an/a


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


(Homo sapiens (Human))
BDBM631734
PNG
(N-((3S, 4R)-4-(2, 6-Difluoro-4-methoxyphenyl)-2-ox...)
Show SMILES COc1cc(F)c([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)F)cc2)c2cccn(CC(O)C(F)(F)F)c2=O)c(F)c1
PDB

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n/an/an/an/a 14n/an/an/an/a


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


(Homo sapiens (Human))
BDBM631736
PNG
(US20230348426, Example 6)
Show SMILES COc1cc(F)c([C@@H]2CN(C(=O)[C@H]2NC(=O)c2ccc(OC(F)F)cc2)c2nc(Cl)ccc2C#N)c(F)c1
PDB

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n/an/an/an/a 5.10n/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
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