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Compile Data Set for Download or QSAR

Found 90 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2A5' AND taxid = 10090   
Target
(Institution)
LigandTarget
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
Cytochrome P450 2A5


(Mus musculus)
BDBM50159263
PNG
(1,4-dichlorobenzene | CHEMBL190982 | PARA | PDCB |...)
Show SMILES Clc1ccc(Cl)cc1
Show InChI InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H
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n/an/a 1.00E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159263
PNG
(1,4-dichlorobenzene | CHEMBL190982 | PARA | PDCB |...)
Show SMILES Clc1ccc(Cl)cc1
Show InChI InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159240
PNG
(2,7-DMN | 2,7-dimethylnaphthalene | CHEMBL195036)
Show SMILES Cc1ccc2ccc(C)cc2c1
Show InChI InChI=1S/C12H12/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3-8H,1-2H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159240
PNG
(2,7-DMN | 2,7-dimethylnaphthalene | CHEMBL195036)
Show SMILES Cc1ccc2ccc(C)cc2c1
Show InChI InChI=1S/C12H12/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3-8H,1-2H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159257
PNG
(2,6-DMN | 2,6-Dimethylnaphthalene | CHEMBL194983)
Show SMILES Cc1ccc2cc(C)ccc2c1
Show InChI InChI=1S/C12H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h3-8H,1-2H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159257
PNG
(2,6-DMN | 2,6-Dimethylnaphthalene | CHEMBL194983)
Show SMILES Cc1ccc2cc(C)ccc2c1
Show InChI InChI=1S/C12H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h3-8H,1-2H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159245
PNG
(1,4-dibromobenzene | CHEMBL195407 | p-bromophenyl ...)
Show SMILES Brc1ccc(Br)cc1
Show InChI InChI=1S/C6H4Br2/c7-5-1-2-6(8)4-3-5/h1-4H
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n/an/a 2.20E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159245
PNG
(1,4-dibromobenzene | CHEMBL195407 | p-bromophenyl ...)
Show SMILES Brc1ccc(Br)cc1
Show InChI InChI=1S/C6H4Br2/c7-5-1-2-6(8)4-3-5/h1-4H
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159251
PNG
(1,5-Dichloro-naphthalene | 1,5-dichloronaphthalene...)
Show SMILES Clc1cccc2c(Cl)cccc12
Show InChI InChI=1S/C10H6Cl2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6H
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n/an/a 2.40E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159251
PNG
(1,5-Dichloro-naphthalene | 1,5-dichloronaphthalene...)
Show SMILES Clc1cccc2c(Cl)cccc12
Show InChI InChI=1S/C10H6Cl2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6H
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159272
PNG
(2-Bromo-naphthalene | 2-bromonaphthalene | CHEMBL1...)
Show SMILES Brc1ccc2ccccc2c1
Show InChI InChI=1S/C10H7Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
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n/an/a 2.50E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159272
PNG
(2-Bromo-naphthalene | 2-bromonaphthalene | CHEMBL1...)
Show SMILES Brc1ccc2ccccc2c1
Show InChI InChI=1S/C10H7Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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n/an/a 2.85E+3n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM10758
PNG
(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)
Show SMILES NCCc1ccccc1
Show InChI InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM60953
PNG
(BDBM50139371 | benzaldehyde)
Show SMILES O=Cc1ccccc1
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n/an/a 3.28E+3n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159267
PNG
(2-(4-methylphenyl)ethylamine | 2-p-Tolyl-ethylamin...)
Show SMILES Cc1ccc(CCN)cc1
Show InChI InChI=1S/C9H13N/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6-7,10H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159242
PNG
(1-(7-Methyl-naphthalen-2-yl)-ethanone | 1-(7-methy...)
Show SMILES CC(=O)c1ccc2ccc(C)cc2c1
Show InChI InChI=1S/C13H12O/c1-9-3-4-11-5-6-12(10(2)14)8-13(11)7-9/h3-8H,1-2H3
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n/an/a 4.10E+3n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159242
PNG
(1-(7-Methyl-naphthalen-2-yl)-ethanone | 1-(7-methy...)
Show SMILES CC(=O)c1ccc2ccc(C)cc2c1
Show InChI InChI=1S/C13H12O/c1-9-3-4-11-5-6-12(10(2)14)8-13(11)7-9/h3-8H,1-2H3
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n/an/a 4.10E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159259
PNG
(2,7-Dichloro-naphthalene | 2,7-dichloronaphthalene...)
Show SMILES Clc1ccc2ccc(Cl)cc2c1
Show InChI InChI=1S/C10H6Cl2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6H
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n/an/a 4.40E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159259
PNG
(2,7-Dichloro-naphthalene | 2,7-dichloronaphthalene...)
Show SMILES Clc1ccc2ccc(Cl)cc2c1
Show InChI InChI=1S/C10H6Cl2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6H
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n/an/a 4.40E+3n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159258
PNG
(2-Methoxy-naphthalene | 2-methoxynaphthalene | CHE...)
Show SMILES COc1ccc2ccccc2c1
Show InChI InChI=1S/C11H10O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3
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n/an/a 4.60E+3n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159258
PNG
(2-Methoxy-naphthalene | 2-methoxynaphthalene | CHE...)
Show SMILES COc1ccc2ccccc2c1
Show InChI InChI=1S/C11H10O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3
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n/an/a 4.60E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159265
PNG
(4-Methylbenzaldehyde | 4-Tolualdehyde | CHEMBL1909...)
Show SMILES Cc1ccc(C=O)cc1
Show InChI InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
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n/an/a 4.68E+3n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159262
PNG
(3-Methyl-isoquinoline | 3-methylisoquinoline | CHE...)
Show SMILES Cc1cc2ccccc2cn1
Show InChI InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-7H,1H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159278
PNG
(2-Ethyl-naphthalene | 2-ethylnaphthalene | CHEMBL3...)
Show SMILES CCc1ccc2ccccc2c1
Show InChI InChI=1S/C12H12/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h3-9H,2H2,1H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159278
PNG
(2-Ethyl-naphthalene | 2-ethylnaphthalene | CHEMBL3...)
Show SMILES CCc1ccc2ccccc2c1
Show InChI InChI=1S/C12H12/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h3-9H,2H2,1H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159262
PNG
(3-Methyl-isoquinoline | 3-methylisoquinoline | CHE...)
Show SMILES Cc1cc2ccccc2cn1
Show InChI InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-7H,1H3
PDB
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n/an/a 4.80E+3n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50139370
PNG
(4-Methoxy-benzaldehyde | 4-methoxybenzaldehyde | C...)
Show SMILES COc1ccc(C=O)cc1
Show InChI InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
PDB
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n/an/a 5.23E+3n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159264
PNG
(1,2-Dichloro-naphthalene | 1,2-dichloronaphthalene...)
Show SMILES Clc1ccc2ccccc2c1Cl
Show InChI InChI=1S/C10H6Cl2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H
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n/an/a 5.50E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159269
PNG
(1,4-Dichloro-naphthalene | 1,4-dichloronaphthalene...)
Show SMILES Clc1ccc(Cl)c2ccccc12
Show InChI InChI=1S/C10H6Cl2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
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n/an/a 5.50E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159269
PNG
(1,4-Dichloro-naphthalene | 1,4-dichloronaphthalene...)
Show SMILES Clc1ccc(Cl)c2ccccc12
Show InChI InChI=1S/C10H6Cl2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159264
PNG
(1,2-Dichloro-naphthalene | 1,2-dichloronaphthalene...)
Show SMILES Clc1ccc2ccccc2c1Cl
Show InChI InChI=1S/C10H6Cl2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159241
PNG
(2-methylnaphthalene | CHEMBL195895 | beta-Methylna...)
Show SMILES Cc1ccc2ccccc2c1
Show InChI InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159241
PNG
(2-methylnaphthalene | CHEMBL195895 | beta-Methylna...)
Show SMILES Cc1ccc2ccccc2c1
Show InChI InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159270
PNG
(2-Fluoro-naphthalene | 2-fluoronaphthalene | CHEMB...)
Show SMILES Fc1ccc2ccccc2c1
Show InChI InChI=1S/C10H7F/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
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n/an/a 7.30E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159270
PNG
(2-Fluoro-naphthalene | 2-fluoronaphthalene | CHEMB...)
Show SMILES Fc1ccc2ccccc2c1
Show InChI InChI=1S/C10H7F/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
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n/an/a 7.30E+3n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM23989
PNG
(1,2,3,4-tetrahydronaphthalen-2-one | CHEMBL191664 ...)
Show SMILES O=C1CCc2ccccc2C1
Show InChI InChI=1S/C10H10O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4H,5-7H2
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n/an/a 9.70E+3n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM23989
PNG
(1,2,3,4-tetrahydronaphthalen-2-one | CHEMBL191664 ...)
Show SMILES O=C1CCc2ccccc2C1
Show InChI InChI=1S/C10H10O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4H,5-7H2
PDB
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n/an/a 9.71E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159274
PNG
(1,3-DMN | 1,3-dimethylnaphthalene | CHEMBL370524)
Show SMILES Cc1cc(C)c2ccccc2c1
Show InChI InChI=1S/C12H12/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h3-8H,1-2H3
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n/an/a 9.90E+3n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159274
PNG
(1,3-DMN | 1,3-dimethylnaphthalene | CHEMBL370524)
Show SMILES Cc1cc(C)c2ccccc2c1
Show InChI InChI=1S/C12H12/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h3-8H,1-2H3
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n/an/a 9.91E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159243
PNG
(2-Chloro-naphthalene | 2-chloronaphthalene | CHEMB...)
Show SMILES Clc1ccc2ccccc2c1
Show InChI InChI=1S/C10H7Cl/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
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n/an/a 1.20E+4n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159243
PNG
(2-Chloro-naphthalene | 2-chloronaphthalene | CHEMB...)
Show SMILES Clc1ccc2ccccc2c1
Show InChI InChI=1S/C10H7Cl/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
PDB
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159252
PNG
(1-chloro-2-phenylbenzene | 2-Chlorbiphenyl | 2-Chl...)
Show SMILES Clc1ccccc1-c1ccccc1
Show InChI InChI=1S/C12H9Cl/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159252
PNG
(1-chloro-2-phenylbenzene | 2-Chlorbiphenyl | 2-Chl...)
Show SMILES Clc1ccccc1-c1ccccc1
Show InChI InChI=1S/C12H9Cl/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
PDB
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n/an/a 1.30E+4n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159271
PNG
(4-Chlorbiphenyl | 4-chloro-1,1'-biphenyl | 4-chlor...)
Show SMILES Clc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
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n/an/a 1.30E+4n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159254
PNG
(3,4-Dihydro-2H-naphthalen-1-one | 3,4-dihydronapht...)
Show SMILES O=C1CCCc2ccccc12
Show InChI InChI=1S/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6H,3,5,7H2
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n/an/a 1.40E+4n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159248
PNG
(1,7-DMN | 1,7-dimethylnaphthalene | CHEMBL373024)
Show SMILES Cc1ccc2cccc(C)c2c1
Show InChI InChI=1S/C12H12/c1-9-6-7-11-5-3-4-10(2)12(11)8-9/h3-8H,1-2H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159260
PNG
(1-Chloro-naphthalene | 1-chloronaphthalene | CHEMB...)
Show SMILES Clc1cccc2ccccc12
Show InChI InChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
PDB
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n/an/a 1.40E+4n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159260
PNG
(1-Chloro-naphthalene | 1-chloronaphthalene | CHEMB...)
Show SMILES Clc1cccc2ccccc12
Show InChI InChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
PDB
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159248
PNG
(1,7-DMN | 1,7-dimethylnaphthalene | CHEMBL373024)
Show SMILES Cc1ccc2cccc(C)c2c1
Show InChI InChI=1S/C12H12/c1-9-6-7-11-5-3-4-10(2)12(11)8-9/h3-8H,1-2H3
PDB
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


Citation and Details
More data for this
Ligand-Target Pair
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