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PubMed code 18335976

Compile data set for download or QSAR
Found 33 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))
BDBM86998
PNG
((2,2-bis(2,4-difluorophenyl)-6-fluorobenzo[d][1,3]...)
Show SMILES Fc1ccc(c(F)c1)C1(Oc2cc(F)c(cc2O1)C(=O)N1CCCCC1)c1ccc(F)cc1F
Show InChI InChI=1S/C25H18F5NO3/c26-14-4-6-17(20(29)10-14)25(18-7-5-15(27)11-21(18)30)33-22-12-16(19(28)13-23(22)34-25)24(32)31-8-2-1-3-9-31/h4-7,10-13H,1-3,8-9H2
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1n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM87007
PNG
((2-(2,4-dichlorophenyl)-6-fluoro-2-(4-methoxypheny...)
Show SMILES COc1ccc(cc1)C1(Oc2cc(F)c(cc2O1)C(=O)N1CCCCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H22Cl2FNO4/c1-32-18-8-5-16(6-9-18)26(20-10-7-17(27)13-21(20)28)33-23-14-19(22(29)15-24(23)34-26)25(31)30-11-3-2-4-12-30/h5-10,13-15H,2-4,11-12H2,1H3
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2n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM86984
PNG
((R)-[2-(2,4-dichloro-phenyl)-6-fluoro-2-(4-fluoro-...)
Show SMILES Fc1ccc(cc1)C1(Oc2cc(F)c(cc2O1)C(=O)N1CCOCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H17Cl2F2NO4/c25-15-3-6-18(19(26)11-15)24(14-1-4-16(27)5-2-14)32-21-12-17(20(28)13-22(21)33-24)23(30)29-7-9-31-10-8-29/h1-6,11-13H,7-10H2
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3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86989
PNG
(1-(2,2-bis(2,4-difluorophenyl)-6-fluorobenzo[d][1,...)
Show SMILES Fc1ccc(c(F)c1)C1(Oc2cc(F)c(cc2O1)S(=O)(=O)N1CCC(F)(F)CC1)c1ccc(F)cc1F
Show InChI InChI=1S/C24H16F7NO4S/c25-13-1-3-15(17(27)9-13)24(16-4-2-14(26)10-18(16)28)35-20-11-19(29)22(12-21(20)36-24)37(33,34)32-7-5-23(30,31)6-8-32/h1-4,9-12H,5-8H2
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3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86984
PNG
((R)-[2-(2,4-dichloro-phenyl)-6-fluoro-2-(4-fluoro-...)
Show SMILES Fc1ccc(cc1)C1(Oc2cc(F)c(cc2O1)C(=O)N1CCOCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H17Cl2F2NO4/c25-15-3-6-18(19(26)11-15)24(14-1-4-16(27)5-2-14)32-21-12-17(20(28)13-22(21)33-24)23(30)29-7-9-31-10-8-29/h1-6,11-13H,7-10H2
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3.30n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86995
PNG
((2-(2,4-dichlorophenyl)-6-fluoro-2-(2-fluorophenyl...)
Show SMILES Fc1ccccc1C1(Oc2cc(F)c(cc2O1)C(=O)N1CCOCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H17Cl2F2NO4/c25-14-5-6-16(18(26)11-14)24(17-3-1-2-4-19(17)27)32-21-12-15(20(28)13-22(21)33-24)23(30)29-7-9-31-10-8-29/h1-6,11-13H,7-10H2
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4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86984
PNG
((R)-[2-(2,4-dichloro-phenyl)-6-fluoro-2-(4-fluoro-...)
Show SMILES Fc1ccc(cc1)C1(Oc2cc(F)c(cc2O1)C(=O)N1CCOCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H17Cl2F2NO4/c25-15-3-6-18(19(26)11-15)24(14-1-4-16(27)5-2-14)32-21-12-17(20(28)13-22(21)33-24)23(30)29-7-9-31-10-8-29/h1-6,11-13H,7-10H2
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4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM87003
PNG
((2-(2,4-dichlorophenyl)-6-fluoro-2-(4-fluorophenyl...)
Show SMILES Fc1ccc(cc1)C1(Oc2cc(F)c(cc2O1)C(=O)N1CCCCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H19Cl2F2NO3/c26-16-6-9-19(20(27)12-16)25(15-4-7-17(28)8-5-15)32-22-13-18(21(29)14-23(22)33-25)24(31)30-10-2-1-3-11-30/h4-9,12-14H,1-3,10-11H2
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4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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6n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86997
PNG
((6-fluoro-2,2-bis(4-fluorophenyl)benzo[d][1,3]diox...)
Show SMILES Fc1ccc(cc1)C1(Oc2cc(F)c(cc2O1)C(=O)N1CCCCC1)c1ccc(F)cc1
Show InChI InChI=1S/C25H20F3NO3/c26-18-8-4-16(5-9-18)25(17-6-10-19(27)11-7-17)31-22-14-20(21(28)15-23(22)32-25)24(30)29-12-2-1-3-13-29/h4-11,14-15H,1-3,12-13H2
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7n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86992
PNG
((2,2-bis(2,4-difluorophenyl)-6-fluorobenzo[d][1,3]...)
Show SMILES Fc1ccc(c(F)c1)C1(Oc2cc(F)c(cc2O1)C(=O)N1CCOCC1)c1ccc(F)cc1F
Show InChI InChI=1S/C24H16F5NO4/c25-13-1-3-16(19(28)9-13)24(17-4-2-14(26)10-20(17)29)33-21-11-15(18(27)12-22(21)34-24)23(31)30-5-7-32-8-6-30/h1-4,9-12H,5-8H2
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7n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29094
PNG
((+/-)-SLV319 | (S)-3-(4-chlorophenyl)-N-(4-chlorop...)
Show SMILES CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:18|
Show InChI InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)
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8n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM87009
PNG
(4-(2-(2,4-dichlorophenyl)-6-fluoro-2-(4-fluorophen...)
Show SMILES Fc1ccc(cc1)C1(Oc2cc(F)c(cc2O1)S(=O)(=O)N1CCOCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H17Cl2F2NO5S/c24-15-3-6-17(18(25)11-15)23(14-1-4-16(26)5-2-14)32-20-12-19(27)22(13-21(20)33-23)34(29,30)28-7-9-31-10-8-28/h1-6,11-13H,7-10H2
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9n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86986
PNG
((6-fluoro-2,2-diphenylbenzo[d][1,3]dioxol-5-yl)(pi...)
Show SMILES Fc1cc2OC(Oc2cc1C(=O)N1CCCCC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H22FNO3/c26-21-17-23-22(16-20(21)24(28)27-14-8-3-9-15-27)29-25(30-23,18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,16-17H,3,8-9,14-15H2
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11n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM87000
PNG
(1-(2,2-diphenyl-benzo[1,3]dioxole-5-sulfonyl)-4-(4...)
Show SMILES Fc1ccc(cc1)C1=CCN(CC1)S(=O)(=O)c1ccc2OC(Oc2c1)(c1ccccc1)c1ccccc1 |t:8|
Show InChI InChI=1S/C30H24FNO4S/c31-26-13-11-22(12-14-26)23-17-19-32(20-18-23)37(33,34)27-15-16-28-29(21-27)36-30(35-28,24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-17,21H,18-20H2
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13n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86999
PNG
((2,2-diphenyl-[1,3]dioxolo[4,5-c]pyridin-6-yl)-pip...)
Show SMILES O=C(N1CCCCC1)c1cc2OC(Oc2cn1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H22N2O3/c27-23(26-14-8-3-9-15-26)20-16-21-22(17-25-20)29-24(28-21,18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,16-17H,3,8-9,14-15H2
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13n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86993
PNG
((6-fluoro-2,2-diphenyl-benzo[1,3]dioxol-5-yl)-morp...)
Show SMILES Fc1cc2OC(Oc2cc1C(=O)N1CCOCC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H20FNO4/c25-20-16-22-21(15-19(20)23(27)26-11-13-28-14-12-26)29-24(30-22,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,15-16H,11-14H2
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15n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM87006
PNG
((6-fluoro-2,2-bis(4-fluorophenyl)benzo[d][1,3]diox...)
Show SMILES Fc1ccc(cc1)C1(Oc2cc(F)c(cc2O1)C(=O)N1CCOCC1)c1ccc(F)cc1
Show InChI InChI=1S/C24H18F3NO4/c25-17-5-1-15(2-6-17)24(16-3-7-18(26)8-4-16)31-21-13-19(20(27)14-22(21)32-24)23(29)28-9-11-30-12-10-28/h1-8,13-14H,9-12H2
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18n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM87012
PNG
(4-(2,2-bis(2,4-difluorophenyl)-6-fluorobenzo[d][1,...)
Show SMILES Fc1ccc(c(F)c1)C1(Oc2cc(F)c(cc2O1)S(=O)(=O)N1CCOCC1)c1ccc(F)cc1F
Show InChI InChI=1S/C23H16F5NO5S/c24-13-1-3-15(17(26)9-13)23(16-4-2-14(25)10-18(16)27)33-20-11-19(28)22(12-21(20)34-23)35(30,31)29-5-7-32-8-6-29/h1-4,9-12H,5-8H2
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25n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86991
PNG
((2,2-diphenylbenzo[d][1,3]dioxol-5-yl)(piperidin-1...)
Show SMILES O=C(N1CCCCC1)c1ccc2OC(Oc2c1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H23NO3/c27-24(26-16-8-3-9-17-26)19-14-15-22-23(18-19)29-25(28-22,20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-2,4-7,10-15,18H,3,8-9,16-17H2
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28n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM87001
PNG
((2-(2,4-dichlorophenyl)-2-(4-fluorophenyl)benzo[d]...)
Show SMILES Fc1ccc(cc1)C1(Oc2ccc(cc2O1)C(=O)N1CCOCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H18Cl2FNO4/c25-17-4-7-19(20(26)14-17)24(16-2-5-18(27)6-3-16)31-21-8-1-15(13-22(21)32-24)23(29)28-9-11-30-12-10-28/h1-8,13-14H,9-12H2
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30n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86984
PNG
((R)-[2-(2,4-dichloro-phenyl)-6-fluoro-2-(4-fluoro-...)
Show SMILES Fc1ccc(cc1)C1(Oc2cc(F)c(cc2O1)C(=O)N1CCOCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H17Cl2F2NO4/c25-15-3-6-18(19(26)11-15)24(14-1-4-16(27)5-2-14)32-21-12-17(20(28)13-22(21)33-24)23(30)29-7-9-31-10-8-29/h1-6,11-13H,7-10H2
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35n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM87004
PNG
(1-(2,2-diphenyl-benzo[1,3]dioxole-5-sulfonyl)-pipe...)
Show SMILES O=S(=O)(N1CCCCC1)c1ccc2OC(Oc2c1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H23NO4S/c26-30(27,25-16-8-3-9-17-25)21-14-15-22-23(18-21)29-24(28-22,19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-2,4-7,10-15,18H,3,8-9,16-17H2
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38n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM87011
PNG
((S)-(2,2-bis(2,4-difluorophenyl)-6-fluorobenzo[d][...)
Show SMILES COC1CCCN1C(=O)c1cc2OC(Oc2cc1F)(c1ccc(F)cc1F)c1ccc(F)cc1F
Show InChI InChI=1S/C25H18F5NO4/c1-33-23-3-2-8-31(23)24(32)15-11-21-22(12-18(15)28)35-25(34-21,16-6-4-13(26)9-19(16)29)17-7-5-14(27)10-20(17)30/h4-7,9-12,23H,2-3,8H2,1H3
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46n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM87008
PNG
((2,2-diphenylbenzo[d][1,3]dioxol-5-yl)(morpholino)...)
Show SMILES O=C(N1CCOCC1)c1ccc2OC(Oc2c1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H21NO4/c26-23(25-13-15-27-16-14-25)18-11-12-21-22(17-18)29-24(28-21,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17H,13-16H2
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50n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM87005
PNG
((6-(methylsulfonyl)-1-pentyl-1H-indol-3-yl)(naphth...)
Show SMILES CCCCCn1cc(C(=O)c2ccc3ccccc3c2)c2ccc(cc12)S(C)(=O)=O
Show InChI InChI=1S/C25H25NO3S/c1-3-4-7-14-26-17-23(22-13-12-21(16-24(22)26)30(2,28)29)25(27)20-11-10-18-8-5-6-9-19(18)15-20/h5-6,8-13,15-17H,3-4,7,14H2,1-2H3
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110n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86988
PNG
((6-chloro-2,2-diphenyl-benzo[1,3]dioxol-5-yl)-morp...)
Show SMILES Clc1cc2OC(Oc2cc1C(=O)N1CCOCC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H20ClNO4/c25-20-16-22-21(15-19(20)23(27)26-11-13-28-14-12-26)29-24(30-22,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,15-16H,11-14H2
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216n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86990
PNG
(6-(morpholine-4-carbonyl)-2,2-diphenyl-benzo[1,3]d...)
Show SMILES O=C(N1CCOCC1)c1cc2OC(Oc2cc1C#N)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H20N2O4/c26-17-18-15-22-23(16-21(18)24(28)27-11-13-29-14-12-27)31-25(30-22,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,15-16H,11-14H2
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277n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86994
PNG
((6-methyl-2,2-diphenyl-benzo[1,3]dioxol-5-yl)-morp...)
Show SMILES Cc1cc2OC(Oc2cc1C(=O)N1CCOCC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H23NO4/c1-18-16-22-23(17-21(18)24(27)26-12-14-28-15-13-26)30-25(29-22,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,16-17H,12-15H2,1H3
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509n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86985
PNG
((6-bromo-2,2-diphenyl-benzo[1,3]dioxol-5-yl)-morph...)
Show SMILES Brc1cc2OC(Oc2cc1C(=O)N1CCOCC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H20BrNO4/c25-20-16-22-21(15-19(20)23(27)26-11-13-28-14-12-26)29-24(30-22,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,15-16H,11-14H2
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873n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86996
PNG
(4-[6-fluoro-2,2-bis-(4-fluoro-phenyl)-benzo[1,3]di...)
Show SMILES Fc1ccc(cc1)C1(Oc2cc(F)c(CN3CCOCC3)cc2O1)c1ccc(F)cc1
Show InChI InChI=1S/C24H20F3NO3/c25-19-5-1-17(2-6-19)24(18-3-7-20(26)8-4-18)30-22-13-16(21(27)14-23(22)31-24)15-28-9-11-29-12-10-28/h1-8,13-14H,9-12,15H2
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1.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM87010
PNG
(1-(4-(4-chlorophenyl)-5,6-dihydropyridin-1(2H)-yl)...)
Show SMILES Clc1ccc(cc1)C1=CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1 |t:8|
Show InChI InChI=1S/C26H24ClNO/c27-24-13-11-20(12-14-24)21-15-17-28(18-16-21)26(29)19-25(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-15,25H,16-19H2
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1.50E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM87000
PNG
(1-(2,2-diphenyl-benzo[1,3]dioxole-5-sulfonyl)-4-(4...)
Show SMILES Fc1ccc(cc1)C1=CCN(CC1)S(=O)(=O)c1ccc2OC(Oc2c1)(c1ccccc1)c1ccccc1 |t:8|
Show InChI InChI=1S/C30H24FNO4S/c31-26-13-11-22(12-14-26)23-17-19-32(20-18-23)37(33,34)27-15-16-28-29(21-27)36-30(35-28,24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-17,21H,18-20H2
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>1.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




J Med Chem 51: 2115-27 (2008)


Article DOI: 10.1021/jm701487t
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%