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Compile Data Set for Download or QSAR

Found 79 hits with Last Name = 'bolzoni' and Initial = 'pt'   
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
COX-1


(RAT)
BDBM50172479
PNG
((S)-FLURBIPROFEN | CHEMBL435298)
Show SMILES C[C@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Concentration required to inhibit cyclooxygenase-1 in rat blood


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
COX-1


(RAT)
BDBM50074922
PNG
((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid |...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
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n/an/a 170n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Concentration required to inhibit cyclooxygenase-1 in rat blood


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (Human))
BDBM50172479
PNG
((S)-FLURBIPROFEN | CHEMBL435298)
Show SMILES C[C@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m0/s1
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n/an/a 910n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Concentration required to inhibit cyclooxygenase-2 in human blood


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM11683
PNG
((3aS,8aS)-1,3a,8-trimethyl-5-[(methylcarbamoyl)oxy...)
Show SMILES [H][C@@]12N(C)c3ccc(OC(=O)NC)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
Show InChI InChI=1S/C15H21N3O3/c1-15-7-8-18(4,20)13(15)17(3)12-6-5-10(9-11(12)15)21-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15-,18?/m0/s1
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Istituto di Cristallografia



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...


J Med Chem 49: 5051-8 (2006)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2DN439P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM11685
PNG
((3aS,8aS)-1,3a,8-trimethyl-5-{[(2-methylphenyl)car...)
Show SMILES [H][C@@]12N(C)c3ccc(OC(=O)Nc4ccccc4C)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
Show InChI InChI=1S/C21H25N3O3/c1-14-7-5-6-8-17(14)22-20(25)27-15-9-10-18-16(13-15)21(2)11-12-24(4,26)19(21)23(18)3/h5-10,13,19H,11-12H2,1-4H3,(H,22,25)/t19-,21-,24?/m0/s1
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Istituto di Cristallografia



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...


J Med Chem 49: 5051-8 (2006)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2DN439P
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50172466
PNG
(2-(2-Fluoro-4''-hydroxy-[1,1';4',1'']terphenyl-4-y...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C21H17FO3/c1-13(21(24)25)17-8-11-19(20(22)12-17)16-4-2-14(3-5-16)15-6-9-18(23)10-7-15/h2-13,23H,1H3,(H,24,25)
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Interaction with human cytochrome P450 isoform 2C9 expressed in baculovirus-insect cells


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM11684
PNG
((3aS,8aS)-1,3a,8-trimethyl-1-oxido-5-[(phenylcarba...)
Show SMILES [H][C@@]12N(C)c3ccc(OC(=O)Nc4ccccc4)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
Show InChI InChI=1S/C20H23N3O3/c1-20-11-12-23(3,25)18(20)22(2)17-10-9-15(13-16(17)20)26-19(24)21-14-7-5-4-6-8-14/h4-10,13,18H,11-12H2,1-3H3,(H,21,24)/t18-,20-,23?/m0/s1
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Istituto di Cristallografia



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...


J Med Chem 49: 5051-8 (2006)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2DN439P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM11686
PNG
((-)-O-[(2-ethylphenyl)carbamoyl]geneseroline | (3a...)
Show SMILES [H][C@@]12N(C)c3ccc(OC(=O)Nc4ccccc4CC)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
Show InChI InChI=1S/C22H27N3O3/c1-5-15-8-6-7-9-18(15)23-21(26)28-16-10-11-19-17(14-16)22(2)12-13-25(4,27)20(22)24(19)3/h6-11,14,20H,5,12-13H2,1-4H3,(H,23,26)/t20-,22-,25?/m0/s1
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Istituto di Cristallografia



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...


J Med Chem 49: 5051-8 (2006)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2DN439P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM11689
PNG
((3aS,8aS)-1,3a,8-trimethyl-5-{[(3-methylphenyl)car...)
Show SMILES [H][C@@]12N(C)c3ccc(OC(=O)Nc4cccc(C)c4)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
Show InChI InChI=1S/C21H25N3O3/c1-14-6-5-7-15(12-14)22-20(25)27-16-8-9-18-17(13-16)21(2)10-11-24(4,26)19(21)23(18)3/h5-9,12-13,19H,10-11H2,1-4H3,(H,22,25)/t19-,21-,24?/m0/s1
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Istituto di Cristallografia



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...


J Med Chem 49: 5051-8 (2006)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2DN439P
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50172467
PNG
(1-[4'-(4,4-Dimethyl-cyclohexyl)-2-fluoro-biphenyl-...)
Show SMILES CC1(C)CCC(CC1)c1ccc(cc1)-c1ccc(cc1F)C1(CC1)C(O)=O
Show InChI InChI=1S/C24H27FO2/c1-23(2)11-9-17(10-12-23)16-3-5-18(6-4-16)20-8-7-19(15-21(20)25)24(13-14-24)22(26)27/h3-8,15,17H,9-14H2,1-2H3,(H,26,27)
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Interaction with human cytochrome P450 isoform 2D6 expressed in baculovirus-insect cells


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50172465
PNG
(1-(4,2',2''-Trifluoro-[1,1';4',1'']terphenyl-4''-y...)
Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(c(F)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H15F3O2/c23-16-5-1-13(2-6-16)17-7-3-14(11-19(17)24)18-8-4-15(12-20(18)25)22(9-10-22)21(26)27/h1-8,11-12H,9-10H2,(H,26,27)
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Interaction with human cytochrome P450 isoform 2C9 expressed in baculovirus-insect cells


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM11691
PNG
((3aS,8aS)-1,3a,8-trimethyl-5-{[(4-methylphenyl)car...)
Show SMILES [H][C@@]12N(C)c3ccc(OC(=O)Nc4ccc(C)cc4)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
Show InChI InChI=1S/C21H25N3O3/c1-14-5-7-15(8-6-14)22-20(25)27-16-9-10-18-17(13-16)21(2)11-12-24(4,26)19(21)23(18)3/h5-10,13,19H,11-12H2,1-4H3,(H,22,25)/t19-,21-,24?/m0/s1
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Istituto di Cristallografia



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...


J Med Chem 49: 5051-8 (2006)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2DN439P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM11687
PNG
((3aS,8aS)-1,3a,8-trimethyl-1-oxido-5-({[2-(propan-...)
Show SMILES [H][C@@]12N(C)c3ccc(OC(=O)Nc4ccccc4C(C)C)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
Show InChI InChI=1S/C23H29N3O3/c1-15(2)17-8-6-7-9-19(17)24-22(27)29-16-10-11-20-18(14-16)23(3)12-13-26(5,28)21(23)25(20)4/h6-11,14-15,21H,12-13H2,1-5H3,(H,24,27)/t21-,23-,26?/m0/s1
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Istituto di Cristallografia



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...


J Med Chem 49: 5051-8 (2006)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2DN439P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM11688
PNG
((3aS,8aS)-1,3a,8-trimethyl-1-oxido-5-{[(2-propylph...)
Show SMILES [H][C@@]12N(C)c3ccc(OC(=O)Nc4ccccc4CCC)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
Show InChI InChI=1S/C23H29N3O3/c1-5-8-16-9-6-7-10-19(16)24-22(27)29-17-11-12-20-18(15-17)23(2)13-14-26(4,28)21(23)25(20)3/h6-7,9-12,15,21H,5,8,13-14H2,1-4H3,(H,24,27)/t21-,23-,26?/m0/s1
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n/an/a 8.44E+3n/an/an/an/a8.022



Istituto di Cristallografia



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...


J Med Chem 49: 5051-8 (2006)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2DN439P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM11693
PNG
((3aS,8aS)-5-{[(3,5-dimethylphenyl)carbamoyl]oxy}-1...)
Show SMILES [H][C@@]12N(C)c3ccc(OC(=O)Nc4cc(C)cc(C)c4)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
Show InChI InChI=1S/C22H27N3O3/c1-14-10-15(2)12-16(11-14)23-21(26)28-17-6-7-19-18(13-17)22(3)8-9-25(5,27)20(22)24(19)4/h6-7,10-13,20H,8-9H2,1-5H3,(H,23,26)/t20-,22-,25?/m0/s1
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Istituto di Cristallografia



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...


J Med Chem 49: 5051-8 (2006)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2DN439P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM11690
PNG
((3aS,8aS)-5-{[(3-ethylphenyl)carbamoyl]oxy}-1,3a,8...)
Show SMILES [H][C@@]12N(C)c3ccc(OC(=O)Nc4cccc(CC)c4)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
Show InChI InChI=1S/C22H27N3O3/c1-5-15-7-6-8-16(13-15)23-21(26)28-17-9-10-19-18(14-17)22(2)11-12-25(4,27)20(22)24(19)3/h6-10,13-14,20H,5,11-12H2,1-4H3,(H,23,26)/t20-,22-,25?/m0/s1
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Istituto di Cristallografia



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...


J Med Chem 49: 5051-8 (2006)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2DN439P
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50172460
PNG
(1-[2-Fluoro-4'-(3,3,5,5-tetramethyl-cyclohexyloxy)...)
Show SMILES CC1(C)CC(CC(C)(C)C1)Oc1ccc(cc1)-c1ccc(cc1F)C1(CC1)C(O)=O
Show InChI InChI=1S/C26H31FO3/c1-24(2)14-20(15-25(3,4)16-24)30-19-8-5-17(6-9-19)21-10-7-18(13-22(21)27)26(11-12-26)23(28)29/h5-10,13,20H,11-12,14-16H2,1-4H3,(H,28,29)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory concentration against beta-amyloid-42 (Abeta42) secretion was evaluated in human neuroglioma cells (H4-APP695NL)


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50172472
PNG
(2-(3',5'-Dichloro-2-fluoro-biphenyl-4-yl)-propiona...)
Show SMILES CC(C(N)=O)c1ccc(c(F)c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C15H12Cl2FNO/c1-8(15(19)20)9-2-3-13(14(18)6-9)10-4-11(16)7-12(17)5-10/h2-8H,1H3,(H2,19,20)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Concentration required to inhibit A beta 40 peptide 100 uM


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50172467
PNG
(1-[4'-(4,4-Dimethyl-cyclohexyl)-2-fluoro-biphenyl-...)
Show SMILES CC1(C)CCC(CC1)c1ccc(cc1)-c1ccc(cc1F)C1(CC1)C(O)=O
Show InChI InChI=1S/C24H27FO2/c1-23(2)11-9-17(10-12-23)16-3-5-18(6-4-16)20-8-7-19(15-21(20)25)24(13-14-24)22(26)27/h3-8,15,17H,9-14H2,1-2H3,(H,26,27)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Interaction with human cytochrome P450 isoform 2C19 expressed in baculovirus-insect cells


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50172482
PNG
(1-(3',4'-Dichloro-2-fluoro-biphenyl-4-yl)-cyclopro...)
Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H11Cl2FO2/c17-12-4-1-9(7-13(12)18)11-3-2-10(8-14(11)19)16(5-6-16)15(20)21/h1-4,7-8H,5-6H2,(H,20,21)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Concentration required to inhibit A beta 40 peptide 100 uM


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50172460
PNG
(1-[2-Fluoro-4'-(3,3,5,5-tetramethyl-cyclohexyloxy)...)
Show SMILES CC1(C)CC(CC(C)(C)C1)Oc1ccc(cc1)-c1ccc(cc1F)C1(CC1)C(O)=O
Show InChI InChI=1S/C26H31FO3/c1-24(2)14-20(15-25(3,4)16-24)30-19-8-5-17(6-9-19)21-10-7-18(13-22(21)27)26(11-12-26)23(28)29/h5-10,13,20H,11-12,14-16H2,1-4H3,(H,28,29)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Interaction with human cytochrome P450 isoform 2C9 expressed in baculovirus-insect cells


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50172467
PNG
(1-[4'-(4,4-Dimethyl-cyclohexyl)-2-fluoro-biphenyl-...)
Show SMILES CC1(C)CCC(CC1)c1ccc(cc1)-c1ccc(cc1F)C1(CC1)C(O)=O
Show InChI InChI=1S/C24H27FO2/c1-23(2)11-9-17(10-12-23)16-3-5-18(6-4-16)20-8-7-19(15-21(20)25)24(13-14-24)22(26)27/h3-8,15,17H,9-14H2,1-2H3,(H,26,27)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Interaction with human cytochrome P450 isoform 2C9 expressed in baculovirus-insect cells


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50172468
PNG
(1-(4-Benzo[b]thiophen-3-yl-3-fluoro-phenyl)-cyclop...)
Show SMILES OC(=O)C1(CC1)c1ccc(-c2csc3ccccc23)c(F)c1
Show InChI InChI=1S/C18H13FO2S/c19-15-9-11(18(7-8-18)17(20)21)5-6-12(15)14-10-22-16-4-2-1-3-13(14)16/h1-6,9-10H,7-8H2,(H,20,21)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Interaction with human cytochrome P450 isoform 2C9 expressed in baculovirus-insect cells


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50172462
PNG
(1-[2-Fluoro-4'-(4-trifluoromethyl-cyclohexyloxy)-b...)
Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(OC2CCC(CC2)C(F)(F)F)cc1 |(5.41,-14.61,;4.08,-15.38,;4.08,-16.92,;2.74,-14.63,;1.31,-14.05,;2.4,-12.96,;1.41,-15.41,;.08,-14.64,;-1.25,-15.41,;-1.25,-16.95,;.08,-17.72,;.08,-19.26,;1.41,-16.95,;-2.59,-17.72,;-2.58,-19.26,;-3.91,-20.03,;-5.25,-19.26,;-6.6,-20.03,;-7.93,-19.26,;-7.93,-17.72,;-9.26,-16.95,;-10.59,-17.72,;-10.59,-19.26,;-9.26,-20.03,;-11.92,-16.94,;-13.12,-16.22,;-12.16,-15.34,;-13.42,-17.51,;-5.25,-17.72,;-3.92,-16.95,)|
Show InChI InChI=1S/C23H22F4O3/c24-20-13-16(22(11-12-22)21(28)29)5-10-19(20)14-1-6-17(7-2-14)30-18-8-3-15(4-9-18)23(25,26)27/h1-2,5-7,10,13,15,18H,3-4,8-9,11-12H2,(H,28,29)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Interaction with human cytochrome P450 isoform 2C9 expressed in baculovirus-insect cells


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50172462
PNG
(1-[2-Fluoro-4'-(4-trifluoromethyl-cyclohexyloxy)-b...)
Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(OC2CCC(CC2)C(F)(F)F)cc1 |(5.41,-14.61,;4.08,-15.38,;4.08,-16.92,;2.74,-14.63,;1.31,-14.05,;2.4,-12.96,;1.41,-15.41,;.08,-14.64,;-1.25,-15.41,;-1.25,-16.95,;.08,-17.72,;.08,-19.26,;1.41,-16.95,;-2.59,-17.72,;-2.58,-19.26,;-3.91,-20.03,;-5.25,-19.26,;-6.6,-20.03,;-7.93,-19.26,;-7.93,-17.72,;-9.26,-16.95,;-10.59,-17.72,;-10.59,-19.26,;-9.26,-20.03,;-11.92,-16.94,;-13.12,-16.22,;-12.16,-15.34,;-13.42,-17.51,;-5.25,-17.72,;-3.92,-16.95,)|
Show InChI InChI=1S/C23H22F4O3/c24-20-13-16(22(11-12-22)21(28)29)5-10-19(20)14-1-6-17(7-2-14)30-18-8-3-15(4-9-18)23(25,26)27/h1-2,5-7,10,13,15,18H,3-4,8-9,11-12H2,(H,28,29)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory concentration against beta-amyloid-42 (Abeta42) secretion was evaluated in human neuroglioma cells (H4-APP695NL)


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50172478
PNG
(2-(3',5'-Dichloro-2-fluoro-biphenyl-4-yl)-propioni...)
Show SMILES CC(C(=O)OC(C)(C)C)c1ccc(c(F)c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C19H19Cl2FO2/c1-11(18(23)24-19(2,3)4)12-5-6-16(17(22)9-12)13-7-14(20)10-15(21)8-13/h5-11H,1-4H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Concentration required to inhibit A beta 40 peptide 100 uM


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50172475
PNG
(2-(4'-Cyclohexyl-2-fluoro-biphenyl-4-yl)-propionic...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C21H23FO2/c1-14(21(23)24)18-11-12-19(20(22)13-18)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-15H,2-6H2,1H3,(H,23,24)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory concentration against beta-amyloid-42 (Abeta42) secretion was evaluated in human neuroglioma cells (H4-APP695NL)


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50172459
PNG
(1-(2-Fluoro-4''-hydroxy-[1,1';4',1'']terphenyl-4-y...)
Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C22H17FO3/c23-20-13-17(22(11-12-22)21(25)26)7-10-19(20)16-3-1-14(2-4-16)15-5-8-18(24)9-6-15/h1-10,13,24H,11-12H2,(H,25,26)
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n/an/a 2.15E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Interaction with human cytochrome P450 isoform 2D6 expressed in baculovirus-insect cells


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50172463
PNG
(1-(2-Fluoro-4'-trifluoromethyl-biphenyl-4-yl)-cycl...)
Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H12F4O2/c18-14-9-12(16(7-8-16)15(22)23)5-6-13(14)10-1-3-11(4-2-10)17(19,20)21/h1-6,9H,7-8H2,(H,22,23)
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n/an/a 2.20E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Concentration required to inhibit A beta 40 peptide 100 um


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50172482
PNG
(1-(3',4'-Dichloro-2-fluoro-biphenyl-4-yl)-cyclopro...)
Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H11Cl2FO2/c17-12-4-1-9(7-13(12)18)11-3-2-10(8-14(11)19)16(5-6-16)15(20)21/h1-4,7-8H,5-6H2,(H,20,21)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Interaction with human cytochrome P450 isoform 2C19 expressed in baculovirus-insect cells


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50172460
PNG
(1-[2-Fluoro-4'-(3,3,5,5-tetramethyl-cyclohexyloxy)...)
Show SMILES CC1(C)CC(CC(C)(C)C1)Oc1ccc(cc1)-c1ccc(cc1F)C1(CC1)C(O)=O
Show InChI InChI=1S/C26H31FO3/c1-24(2)14-20(15-25(3,4)16-24)30-19-8-5-17(6-9-19)21-10-7-18(13-22(21)27)26(11-12-26)23(28)29/h5-10,13,20H,11-12,14-16H2,1-4H3,(H,28,29)
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n/an/a 2.60E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Interaction with human cytochrome P450 isoform 1A2 expressed in baculovirus-insect cells


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50172460
PNG
(1-[2-Fluoro-4'-(3,3,5,5-tetramethyl-cyclohexyloxy)...)
Show SMILES CC1(C)CC(CC(C)(C)C1)Oc1ccc(cc1)-c1ccc(cc1F)C1(CC1)C(O)=O
Show InChI InChI=1S/C26H31FO3/c1-24(2)14-20(15-25(3,4)16-24)30-19-8-5-17(6-9-19)21-10-7-18(13-22(21)27)26(11-12-26)23(28)29/h5-10,13,20H,11-12,14-16H2,1-4H3,(H,28,29)
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n/an/a 2.70E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Interaction with human cytochrome P450 isoform 3A4 expressed in baculovirus-insect cells


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50172481
PNG
(2-(4'-Cyclohexyl-2-fluoro-biphenyl-4-yl)-2-methyl-...)
Show SMILES CC(C)(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C22H25FO2/c1-22(2,21(24)25)18-12-13-19(20(23)14-18)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-15H,3-7H2,1-2H3,(H,24,25)
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n/an/a 2.80E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Interaction with human cytochrome P450 isoform 2C9 expressed in baculovirus-insect cells


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50172460
PNG
(1-[2-Fluoro-4'-(3,3,5,5-tetramethyl-cyclohexyloxy)...)
Show SMILES CC1(C)CC(CC(C)(C)C1)Oc1ccc(cc1)-c1ccc(cc1F)C1(CC1)C(O)=O
Show InChI InChI=1S/C26H31FO3/c1-24(2)14-20(15-25(3,4)16-24)30-19-8-5-17(6-9-19)21-10-7-18(13-22(21)27)26(11-12-26)23(28)29/h5-10,13,20H,11-12,14-16H2,1-4H3,(H,28,29)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Interaction with human cytochrome P450 isoform 2D6 expressed in baculovirus-insect cells


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50172459
PNG
(1-(2-Fluoro-4''-hydroxy-[1,1';4',1'']terphenyl-4-y...)
Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C22H17FO3/c23-20-13-17(22(11-12-22)21(25)26)7-10-19(20)16-3-1-14(2-4-16)15-5-8-18(24)9-6-15/h1-10,13,24H,11-12H2,(H,25,26)
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n/an/a 3.16E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory concentration against beta-amyloid-42 (Abeta42) secretion was evaluated in human neuroglioma cells (H4-APP695NL)


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50172460
PNG
(1-[2-Fluoro-4'-(3,3,5,5-tetramethyl-cyclohexyloxy)...)
Show SMILES CC1(C)CC(CC(C)(C)C1)Oc1ccc(cc1)-c1ccc(cc1F)C1(CC1)C(O)=O
Show InChI InChI=1S/C26H31FO3/c1-24(2)14-20(15-25(3,4)16-24)30-19-8-5-17(6-9-19)21-10-7-18(13-22(21)27)26(11-12-26)23(28)29/h5-10,13,20H,11-12,14-16H2,1-4H3,(H,28,29)
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n/an/a 3.30E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Interaction with human cytochrome P450 isoform 2C19 expressed in baculovirus-insect cells


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50172461
PNG
(1-(2',2''-Difluoro-4-hydroxy-[1,1';4',1'']terpheny...)
Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(c(F)c1)-c1ccc(O)cc1
Show InChI InChI=1S/C22H16F2O3/c23-19-11-14(3-7-17(19)13-1-5-16(25)6-2-13)18-8-4-15(12-20(18)24)22(9-10-22)21(26)27/h1-8,11-12,25H,9-10H2,(H,26,27)
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n/an/a 3.36E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory concentration against beta-amyloid-42 (Abeta42) secretion was evaluated in human neuroglioma cells (H4-APP695NL)


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50172466
PNG
(2-(2-Fluoro-4''-hydroxy-[1,1';4',1'']terphenyl-4-y...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C21H17FO3/c1-13(21(24)25)17-8-11-19(20(22)12-17)16-4-2-14(3-5-16)15-6-9-18(23)10-7-15/h2-13,23H,1H3,(H,24,25)
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n/an/a 3.50E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory concentration against beta-amyloid-42 (Abeta42) secretion was evaluated in human neuroglioma cells (H4-APP695NL)


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50172459
PNG
(1-(2-Fluoro-4''-hydroxy-[1,1';4',1'']terphenyl-4-y...)
Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C22H17FO3/c23-20-13-17(22(11-12-22)21(25)26)7-10-19(20)16-3-1-14(2-4-16)15-5-8-18(24)9-6-15/h1-10,13,24H,11-12H2,(H,25,26)
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n/an/a 3.50E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Interaction with human cytochrome P450 isoform 2C19 expressed in baculovirus-insect cells


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50172465
PNG
(1-(4,2',2''-Trifluoro-[1,1';4',1'']terphenyl-4''-y...)
Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(c(F)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H15F3O2/c23-16-5-1-13(2-6-16)17-7-3-14(11-19(17)24)18-8-4-15(12-20(18)25)22(9-10-22)21(26)27/h1-8,11-12H,9-10H2,(H,26,27)
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n/an/a 3.80E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Interaction with human cytochrome P450 isoform 3A4 expressed in baculovirus-insect cells


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50172482
PNG
(1-(3',4'-Dichloro-2-fluoro-biphenyl-4-yl)-cyclopro...)
Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H11Cl2FO2/c17-12-4-1-9(7-13(12)18)11-3-2-10(8-14(11)19)16(5-6-16)15(20)21/h1-4,7-8H,5-6H2,(H,20,21)
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n/an/a 3.80E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Interaction with human cytochrome P450 isoform 2C9 expressed in baculovirus-insect cells


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50172474
PNG
(2-(4'-Cyclohexyloxy-2-fluoro-biphenyl-4-yl)-propio...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(OC2CCCCC2)cc1
Show InChI InChI=1S/C21H23FO3/c1-14(21(23)24)16-9-12-19(20(22)13-16)15-7-10-18(11-8-15)25-17-5-3-2-4-6-17/h7-14,17H,2-6H2,1H3,(H,23,24)
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n/an/a 4.10E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory concentration against beta-amyloid-42 (Abeta42) secretion was evaluated in human neuroglioma cells (H4-APP695NL)


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50172482
PNG
(1-(3',4'-Dichloro-2-fluoro-biphenyl-4-yl)-cyclopro...)
Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H11Cl2FO2/c17-12-4-1-9(7-13(12)18)11-3-2-10(8-14(11)19)16(5-6-16)15(20)21/h1-4,7-8H,5-6H2,(H,20,21)
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n/an/a 4.10E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory concentration against beta-amyloid-42 (Abeta42) secretion was evaluated in human neuroglioma cells (H4-APP695NL)


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
COX-1


(RAT)
BDBM50172473
PNG
((-)-(2R)-2-(2-fluorobiphenyl-4-yl)propanoic acid |...)
Show SMILES C[C@@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1
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n/an/a 4.40E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Concentration required to inhibit cyclooxygenase-1 in rat blood


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50172475
PNG
(2-(4'-Cyclohexyl-2-fluoro-biphenyl-4-yl)-propionic...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C21H23FO2/c1-14(21(23)24)18-11-12-19(20(22)13-18)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-15H,2-6H2,1H3,(H,23,24)
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n/an/a 4.60E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Concentration required to inhibit A beta 40 peptide


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50172465
PNG
(1-(4,2',2''-Trifluoro-[1,1';4',1'']terphenyl-4''-y...)
Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(c(F)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H15F3O2/c23-16-5-1-13(2-6-16)17-7-3-14(11-19(17)24)18-8-4-15(12-20(18)25)22(9-10-22)21(26)27/h1-8,11-12H,9-10H2,(H,26,27)
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n/an/a 4.60E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Interaction with human cytochrome P450 isoform 2C19 expressed in baculovirus-insect cells


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50172467
PNG
(1-[4'-(4,4-Dimethyl-cyclohexyl)-2-fluoro-biphenyl-...)
Show SMILES CC1(C)CCC(CC1)c1ccc(cc1)-c1ccc(cc1F)C1(CC1)C(O)=O
Show InChI InChI=1S/C24H27FO2/c1-23(2)11-9-17(10-12-23)16-3-5-18(6-4-16)20-8-7-19(15-21(20)25)24(13-14-24)22(26)27/h3-8,15,17H,9-14H2,1-2H3,(H,26,27)
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n/an/a 4.60E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory concentration against beta-amyloid-42 (Abeta42) secretion was evaluated in human neuroglioma cells (H4-APP695NL)


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50172482
PNG
(1-(3',4'-Dichloro-2-fluoro-biphenyl-4-yl)-cyclopro...)
Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H11Cl2FO2/c17-12-4-1-9(7-13(12)18)11-3-2-10(8-14(11)19)16(5-6-16)15(20)21/h1-4,7-8H,5-6H2,(H,20,21)
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n/an/a 4.80E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Interaction with human cytochrome P450 isoform 3A4 expressed in baculovirus-insect cells


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50172465
PNG
(1-(4,2',2''-Trifluoro-[1,1';4',1'']terphenyl-4''-y...)
Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(c(F)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H15F3O2/c23-16-5-1-13(2-6-16)17-7-3-14(11-19(17)24)18-8-4-15(12-20(18)25)22(9-10-22)21(26)27/h1-8,11-12H,9-10H2,(H,26,27)
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n/an/a 5.79E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory concentration against beta-amyloid-42 (Abeta42) secretion was evaluated in human neuroglioma cells (H4-APP695NL)


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50172461
PNG
(1-(2',2''-Difluoro-4-hydroxy-[1,1';4',1'']terpheny...)
Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(c(F)c1)-c1ccc(O)cc1
Show InChI InChI=1S/C22H16F2O3/c23-19-11-14(3-7-17(19)13-1-5-16(25)6-2-13)18-8-4-15(12-20(18)24)22(9-10-22)21(26)27/h1-8,11-12,25H,9-10H2,(H,26,27)
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n/an/a 5.80E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Interaction with human cytochrome P450 isoform 3A4 expressed in baculovirus-insect cells


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
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