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PubMed code 17630726

Compile data set for download or QSAR
Found 32 hits of Enzyme Inhibition Constant Data   
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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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n/an/a 0.770n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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n/an/a 8.90n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50218116
PNG
(CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...)
Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3
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n/an/a 15n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50218116
PNG
(CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...)
Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3
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n/an/a 22n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of rat CB1 receptor


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50218121
PNG
(CHEMBL390675 | naphthalen-1-yl-(4-pentylaminonapht...)
Show SMILES CCCCCNc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H25NO/c1-2-3-8-18-27-25-17-16-24(21-13-6-7-14-22(21)25)26(28)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17,27H,2-3,8,18H2,1H3
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n/an/a 25n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50218123
PNG
(CHEMBL244402 | naphthalen-1-yl-(4-butoxynaphthalen...)
Show SMILES CCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C25H22O2/c1-2-3-17-27-24-16-15-23(20-12-6-7-13-21(20)24)25(26)22-14-8-10-18-9-4-5-11-19(18)22/h4-16H,2-3,17H2,1H3
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n/an/a 48n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50218123
PNG
(CHEMBL244402 | naphthalen-1-yl-(4-butoxynaphthalen...)
Show SMILES CCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C25H22O2/c1-2-3-17-27-24-16-15-23(20-12-6-7-13-21(20)24)25(26)22-14-8-10-18-9-4-5-11-19(18)22/h4-16H,2-3,17H2,1H3
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n/an/a 85n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50218120
PNG
(CHEMBL243334 | naphthalen-1-yl-(4-propoxynaphthale...)
Show SMILES CCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H20O2/c1-2-16-26-23-15-14-22(19-11-5-6-12-20(19)23)24(25)21-13-7-9-17-8-3-4-10-18(17)21/h3-15H,2,16H2,1H3
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n/an/a 90n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50218116
PNG
(CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...)
Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3
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n/an/a 98n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50218121
PNG
(CHEMBL390675 | naphthalen-1-yl-(4-pentylaminonapht...)
Show SMILES CCCCCNc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H25NO/c1-2-3-8-18-27-25-17-16-24(21-13-6-7-14-22(21)25)26(28)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17,27H,2-3,8,18H2,1H3
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n/an/a 120n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50218119
PNG
((4-hexyloxynaphthalen-1-yl)naphthalen-1-ylmethanon...)
Show SMILES CCCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C27H26O2/c1-2-3-4-9-19-29-26-18-17-25(22-14-7-8-15-23(22)26)27(28)24-16-10-12-20-11-5-6-13-21(20)24/h5-8,10-18H,2-4,9,19H2,1H3
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n/an/a 160n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50218120
PNG
(CHEMBL243334 | naphthalen-1-yl-(4-propoxynaphthale...)
Show SMILES CCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H20O2/c1-2-16-26-23-15-14-22(19-11-5-6-12-20(19)23)24(25)21-13-7-9-17-8-3-4-10-18(17)21/h3-15H,2,16H2,1H3
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n/an/a 300n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50218119
PNG
((4-hexyloxynaphthalen-1-yl)naphthalen-1-ylmethanon...)
Show SMILES CCCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C27H26O2/c1-2-3-4-9-19-29-26-18-17-25(22-14-7-8-15-23(22)26)27(28)24-16-10-12-20-11-5-6-13-21(20)24/h5-8,10-18H,2-4,9,19H2,1H3
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n/an/a 660n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50218122
PNG
(CHEMBL244607 | naphthalen-1-yl-(4-phenethyloxynaph...)
Show SMILES O=C(c1cccc2ccccc12)c1ccc(OCCc2ccccc2)c2ccccc12
Show InChI InChI=1S/C29H22O2/c30-29(26-16-8-12-22-11-4-5-13-23(22)26)27-17-18-28(25-15-7-6-14-24(25)27)31-20-19-21-9-2-1-3-10-21/h1-18H,19-20H2
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n/an/a 930n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50218118
PNG
(CHEMBL244189 | [4-(2-morpholin-4-ylethoxy)naphthal...)
Show SMILES O=C(c1cccc2ccccc12)c1ccc(OCCN2CCOCC2)c2ccccc12
Show InChI InChI=1S/C27H25NO3/c29-27(24-11-5-7-20-6-1-2-8-21(20)24)25-12-13-26(23-10-4-3-9-22(23)25)31-19-16-28-14-17-30-18-15-28/h1-13H,14-19H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50218122
PNG
(CHEMBL244607 | naphthalen-1-yl-(4-phenethyloxynaph...)
Show SMILES O=C(c1cccc2ccccc12)c1ccc(OCCc2ccccc2)c2ccccc12
Show InChI InChI=1S/C29H22O2/c30-29(26-16-8-12-22-11-4-5-13-23(22)26)27-17-18-28(25-15-7-6-14-24(25)27)31-20-19-21-9-2-1-3-10-21/h1-18H,19-20H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50218118
PNG
(CHEMBL244189 | [4-(2-morpholin-4-ylethoxy)naphthal...)
Show SMILES O=C(c1cccc2ccccc12)c1ccc(OCCN2CCOCC2)c2ccccc12
Show InChI InChI=1S/C27H25NO3/c29-27(24-11-5-7-20-6-1-2-8-21(20)24)25-12-13-26(23-10-4-3-9-22(23)25)31-19-16-28-14-17-30-18-15-28/h1-13H,14-19H2
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n/an/a 1.10E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50218116
PNG
(CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...)
Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3
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n/an/a 8.08E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50218116
PNG
(CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...)
Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3
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n/an/a>2.00E+5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50218116
PNG
(CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...)
Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3
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n/an/a>2.00E+5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50218116
PNG
(CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...)
Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3
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n/an/a>2.00E+5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50218116
PNG
(CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...)
Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3
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n/an/a>2.00E+5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
More data for this
Ligand-Target Pair
Cytochrome P450 2E1


(Homo sapiens (Human))
BDBM50218116
PNG
(CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...)
Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3
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n/an/a>2.00E+5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2E1 in human liver microsomes


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50218116
PNG
(CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...)
Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3
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n/an/a>2.00E+5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 in human liver microsomes


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50218116
PNG
(CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...)
Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3
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n/an/an/an/a 28n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as reversal of forskolin-evoked cAMP accumulation


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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n/an/an/an/a 0.350n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as reversal of forskolin-evoked cAMP accumulation


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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n/an/an/an/a 12n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as reversal of forskolin-evoked cAMP accumulation


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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n/an/an/an/a 0.470n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as reversal of forskolin-evoked cAMP accumulation


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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n/an/an/an/a 0.280n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as reversal of forskolin-evoked cAMP accumulation


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50218116
PNG
(CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...)
Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3
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n/an/an/an/a 6.10n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293 cells assessed as reversal of forskolin-evoked cAMP accumulation


J Med Chem 50: 3851-6 (2007)


Article DOI: 10.1021/jm070317a
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%