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BDBM50172460 1-[2-Fluoro-4'-(3,3,5,5-tetramethyl-cyclohexyloxy)-biphenyl-4-yl]-cyclopropanecarboxylic acid::CHEMBL197140

SMILES: CC1(C)CC(CC(C)(C)C1)Oc1ccc(cc1)-c1ccc(cc1F)C1(CC1)C(O)=O

InChI Key: InChIKey=NPPAGUSXMQPYGP-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50172460   
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
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 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 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
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 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))
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