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Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 664   
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
Toll-like receptor 4


(Homo sapiens (Human))
BDBM633254
PNG
(Preparation of N—[(R)-3-Decyloxytetradecanoyl]-O-[...)
Show SMILES CCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1OC(CO)[C@@H](OP(O)(O)=O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C(O)=O)OC(=O)CCCCCCCCC |r|
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.780n/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent




US Patent US10081622 (2018)


BindingDB Entry DOI: 10.7270/Q2833V2H
More data for this
Ligand-Target Pair
C-C motif chemokine 4


(Rat)
BDBM633255
PNG
(GLA | Glycopyranoside Lipid A | MPLA | Monophospho...)
Show SMILES CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@@H](OP(O)([O-])=O)[C@@H]1OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
UniProtKB/SwissProt

GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.258n/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent




US Patent US10081622 (2018)


BindingDB Entry DOI: 10.7270/Q2833V2H
More data for this
Ligand-Target Pair
Toll-like receptor 4


(Homo sapiens (Human))
BDBM633260
PNG
(Preparation of 2-[(R)-3-decanoyloxytetradecanoylam...)
Show SMILES CCCCCCCCCCC[C@H](CC(=O)NCCO[C@@H]1OC(CO)[C@@H](OP(O)(O)=O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCc2ccccc2)C1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC |r|
PDB
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PC sid
UniChem
US Patent
n/an/an/an/a 15.7n/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent




US Patent US10081622 (2018)


BindingDB Entry DOI: 10.7270/Q2833V2H
More data for this
Ligand-Target Pair
C-C motif chemokine 4


(Homo sapiens (Human))
BDBM633251
PNG
(Preparation of 2-[(R)-3-decanoyloxytetradecanoylam...)
Show SMILES CCCCCCCCCCC[C@H](CC(=O)NCCO[C@@H]1OC(CO)[C@@H](OP(O)(O)=O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.251n/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent




US Patent US10081622 (2018)


BindingDB Entry DOI: 10.7270/Q2833V2H
More data for this
Ligand-Target Pair
C-C motif chemokine 4


(Homo sapiens (Human))
BDBM633252
PNG
(Preparation of 2-[(R)-3-decanoyloxytetradecanoylam...)
Show SMILES CCCCCCCCCCC[C@H](CC(=O)NCCO[C@@H]1OC(CO)[C@@H](OS(O)(=O)=O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC |r|
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.89n/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent




US Patent US10081622 (2018)


BindingDB Entry DOI: 10.7270/Q2833V2H
More data for this
Ligand-Target Pair
Toll-like receptor 4


(Homo sapiens (Human))
BDBM633251
PNG
(Preparation of 2-[(R)-3-decanoyloxytetradecanoylam...)
Show SMILES CCCCCCCCCCC[C@H](CC(=O)NCCO[C@@H]1OC(CO)[C@@H](OP(O)(O)=O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC |r|
PDB
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PC sid
UniChem
US Patent
n/an/an/an/a 13.7n/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent




US Patent US10081622 (2018)


BindingDB Entry DOI: 10.7270/Q2833V2H
More data for this
Ligand-Target Pair
Toll-like receptor 4


(Homo sapiens (Human))
BDBM633252
PNG
(Preparation of 2-[(R)-3-decanoyloxytetradecanoylam...)
Show SMILES CCCCCCCCCCC[C@H](CC(=O)NCCO[C@@H]1OC(CO)[C@@H](OS(O)(=O)=O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC |r|
PDB
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UniChem
US Patent
n/an/an/an/a 64n/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent




US Patent US10081622 (2018)


BindingDB Entry DOI: 10.7270/Q2833V2H
More data for this
Ligand-Target Pair
Toll-like receptor 4


(Homo sapiens (Human))
BDBM633253
PNG
(Preparation of N—[(R)-3-Decanoyloxytetradecanoyl]-...)
Show SMILES CCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1OC(CO)[C@@H](OP(O)(O)=O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C(=O)OC)OC(=O)CCCCCCCCC |r|
PDB
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PC sid
UniChem
US Patent
n/an/an/an/a 3.95n/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent




US Patent US10081622 (2018)


BindingDB Entry DOI: 10.7270/Q2833V2H
More data for this
Ligand-Target Pair
Toll-like receptor 4


(Homo sapiens (Human))
BDBM633254
PNG
(Preparation of N—[(R)-3-Decyloxytetradecanoyl]-O-[...)
Show SMILES CCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1OC(CO)[C@@H](OP(O)(O)=O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C(O)=O)OC(=O)CCCCCCCCC |r|
PDB
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PC sid
UniChem
US Patent
n/an/an/an/a 1.32n/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent




US Patent US10081622 (2018)


BindingDB Entry DOI: 10.7270/Q2833V2H
More data for this
Ligand-Target Pair
Toll-like receptor 4


(Homo sapiens (Human))
BDBM633255
PNG
(GLA | Glycopyranoside Lipid A | MPLA | Monophospho...)
Show SMILES CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@@H](OP(O)([O-])=O)[C@@H]1OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
PDB
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PC sid
UniChem
US Patent
n/an/an/an/a 152n/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent




US Patent US10081622 (2018)


BindingDB Entry DOI: 10.7270/Q2833V2H
More data for this
Ligand-Target Pair
Toll-like receptor 4


(Homo sapiens (Human))
BDBM633251
PNG
(Preparation of 2-[(R)-3-decanoyloxytetradecanoylam...)
Show SMILES CCCCCCCCCCC[C@H](CC(=O)NCCO[C@@H]1OC(CO)[C@@H](OP(O)(O)=O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC |r|
PDB
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PC sid
UniChem
US Patent
n/an/an/an/a 19.7n/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent




US Patent US10081622 (2018)


BindingDB Entry DOI: 10.7270/Q2833V2H
More data for this
Ligand-Target Pair
Toll-like receptor 4


(Homo sapiens (Human))
BDBM633252
PNG
(Preparation of 2-[(R)-3-decanoyloxytetradecanoylam...)
Show SMILES CCCCCCCCCCC[C@H](CC(=O)NCCO[C@@H]1OC(CO)[C@@H](OS(O)(=O)=O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC |r|
PDB
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 41n/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent




US Patent US10081622 (2018)


BindingDB Entry DOI: 10.7270/Q2833V2H
More data for this
Ligand-Target Pair
Toll-like receptor 4


(Homo sapiens (Human))
BDBM633254
PNG
(Preparation of N—[(R)-3-Decyloxytetradecanoyl]-O-[...)
Show SMILES CCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1OC(CO)[C@@H](OP(O)(O)=O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C(O)=O)OC(=O)CCCCCCCCC |r|
PDB
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.39n/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent




US Patent US10081622 (2018)


BindingDB Entry DOI: 10.7270/Q2833V2H
More data for this
Ligand-Target Pair
Toll-like receptor 4


(Homo sapiens (Human))
BDBM633256
PNG
(Preparation of N—[(R)-3-Decyloxytetradecanoyl]-O-[...)
Show SMILES CCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1OC(CO)[C@@H](OS(O)(=O)=O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C(O)=O)OC(=O)CCCCCCCCC |r|
PDB
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PC sid
UniChem
US Patent
n/an/an/an/a 2.90n/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent




US Patent US10081622 (2018)


BindingDB Entry DOI: 10.7270/Q2833V2H
More data for this
Ligand-Target Pair
Toll-like receptor 4


(Homo sapiens (Human))
BDBM633251
PNG
(Preparation of 2-[(R)-3-decanoyloxytetradecanoylam...)
Show SMILES CCCCCCCCCCC[C@H](CC(=O)NCCO[C@@H]1OC(CO)[C@@H](OP(O)(O)=O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC |r|
PDB
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UniChem
US Patent
n/an/an/an/a 10.2n/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent




US Patent US10081622 (2018)


BindingDB Entry DOI: 10.7270/Q2833V2H
More data for this
Ligand-Target Pair
C-C motif chemokine 4


(Homo sapiens (Human))
BDBM633253
PNG
(Preparation of N—[(R)-3-Decanoyloxytetradecanoyl]-...)
Show SMILES CCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1OC(CO)[C@@H](OP(O)(O)=O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C(=O)OC)OC(=O)CCCCCCCCC |r|
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.462n/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent




US Patent US10081622 (2018)


BindingDB Entry DOI: 10.7270/Q2833V2H
More data for this
Ligand-Target Pair
C-C motif chemokine 4


(Homo sapiens (Human))
BDBM633254
PNG
(Preparation of N—[(R)-3-Decyloxytetradecanoyl]-O-[...)
Show SMILES CCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1OC(CO)[C@@H](OP(O)(O)=O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C(O)=O)OC(=O)CCCCCCCCC |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.124n/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent




US Patent US10081622 (2018)


BindingDB Entry DOI: 10.7270/Q2833V2H
More data for this
Ligand-Target Pair
C-C motif chemokine 4


(Homo sapiens (Human))
BDBM633255
PNG
(GLA | Glycopyranoside Lipid A | MPLA | Monophospho...)
Show SMILES CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@@H](OP(O)([O-])=O)[C@@H]1OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.10n/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent




US Patent US10081622 (2018)


BindingDB Entry DOI: 10.7270/Q2833V2H
More data for this
Ligand-Target Pair
C-C motif chemokine 4


(Rat)
BDBM633251
PNG
(Preparation of 2-[(R)-3-decanoyloxytetradecanoylam...)
Show SMILES CCCCCCCCCCC[C@H](CC(=O)NCCO[C@@H]1OC(CO)[C@@H](OP(O)(O)=O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC |r|
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0580n/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent




US Patent US10081622 (2018)


BindingDB Entry DOI: 10.7270/Q2833V2H
More data for this
Ligand-Target Pair
C-C motif chemokine 4


(Rat)
BDBM633252
PNG
(Preparation of 2-[(R)-3-decanoyloxytetradecanoylam...)
Show SMILES CCCCCCCCCCC[C@H](CC(=O)NCCO[C@@H]1OC(CO)[C@@H](OS(O)(=O)=O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC |r|
UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0180n/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent




US Patent US10081622 (2018)


BindingDB Entry DOI: 10.7270/Q2833V2H
More data for this
Ligand-Target Pair
C-C motif chemokine 4


(Rat)
BDBM633253
PNG
(Preparation of N—[(R)-3-Decanoyloxytetradecanoyl]-...)
Show SMILES CCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1OC(CO)[C@@H](OP(O)(O)=O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C(=O)OC)OC(=O)CCCCCCCCC |r|
UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0110n/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent




US Patent US10081622 (2018)


BindingDB Entry DOI: 10.7270/Q2833V2H
More data for this
Ligand-Target Pair
C-C motif chemokine 4


(Rat)
BDBM633254
PNG
(Preparation of N—[(R)-3-Decyloxytetradecanoyl]-O-[...)
Show SMILES CCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1OC(CO)[C@@H](OP(O)(O)=O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C(O)=O)OC(=O)CCCCCCCCC |r|
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.00100n/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent




US Patent US10081622 (2018)


BindingDB Entry DOI: 10.7270/Q2833V2H
More data for this
Ligand-Target Pair
Toll-like receptor 4


(Homo sapiens (Human))
BDBM633259
PNG
(Preparation of 2-[(R)-3-(8-phenyl)octanoyloxytetra...)
Show SMILES CCCCCCCCCCC[C@H](CC(=O)NCCO[C@@H]1OC(CO)[C@@H](OP(O)(O)=O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCc2ccccc2)C1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCc1ccccc1)OC(=O)CCCCCCCc1ccccc1 |r|
PDB
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UniChem
US Patent
n/an/an/an/a 4.99n/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent




US Patent US10081622 (2018)


BindingDB Entry DOI: 10.7270/Q2833V2H
More data for this
Ligand-Target Pair