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PubMed code 17027269

Compile data set for download or QSAR
Found 23 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))
BDBM50234380
PNG
(CHEMBL245876 | quinolin-8-yl 4-methyl-3-(piperidin...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Oc1cccc2cccnc12
Show InChI InChI=1S/C22H22N2O4S/c1-16-10-11-18(15-20(16)29(26,27)24-13-3-2-4-14-24)22(25)28-19-9-5-7-17-8-6-12-23-21(17)19/h5-12,15H,2-4,13-14H2,1H3
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n/an/a 0.790n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CB1 receptor


Bioorg Med Chem Lett 17: 272-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.049
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50423205
PNG
(CHEMBL245878)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)Oc1cccc2cccnc12
Show InChI InChI=1S/C21H20N2O5S/c1-15-7-8-17(14-19(15)29(25,26)23-10-12-27-13-11-23)21(24)28-18-6-2-4-16-5-3-9-22-20(16)18/h2-9,14H,10-13H2,1H3
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n/an/a 1.30n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CB1 receptor


Bioorg Med Chem Lett 17: 272-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.049
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/a 2.5n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CB1 receptor


Bioorg Med Chem Lett 17: 272-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.049
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50423209
PNG
(CHEMBL247331)
Show SMILES O=C(Oc1cccc2cccnc12)c1cccc(c1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C21H20N2O4S/c24-21(27-19-11-5-7-16-9-6-12-22-20(16)19)17-8-4-10-18(15-17)28(25,26)23-13-2-1-3-14-23/h4-12,15H,1-3,13-14H2
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n/an/a 16n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CB1 receptor


Bioorg Med Chem Lett 17: 272-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.049
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50423204
PNG
(CHEMBL246922)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)Oc1ccccc1Br
Show InChI InChI=1S/C18H18BrNO5S/c1-13-6-7-14(18(21)25-16-5-3-2-4-15(16)19)12-17(13)26(22,23)20-8-10-24-11-9-20/h2-7,12H,8-11H2,1H3
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n/an/a 32n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CB1 receptor


Bioorg Med Chem Lett 17: 272-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.049
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50423207
PNG
(CHEMBL393018)
Show SMILES COc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)Oc1cccc2cccnc12
Show InChI InChI=1S/C21H20N2O6S/c1-27-17-8-7-16(14-19(17)30(25,26)23-10-12-28-13-11-23)21(24)29-18-6-2-4-15-5-3-9-22-20(15)18/h2-9,14H,10-13H2,1H3
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n/an/a 40n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CB1 receptor


Bioorg Med Chem Lett 17: 272-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.049
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50423202
PNG
(CHEMBL393224)
Show SMILES O=C(Oc1cccc2cccnc12)c1cccc(c1)S(=O)(=O)N1CCCCCC1
Show InChI InChI=1S/C22H22N2O4S/c25-22(28-20-12-6-8-17-10-7-13-23-21(17)20)18-9-5-11-19(16-18)29(26,27)24-14-3-1-2-4-15-24/h5-13,16H,1-4,14-15H2
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n/an/a 50n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CB1 receptor


Bioorg Med Chem Lett 17: 272-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.049
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 63n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CB1 receptor


Bioorg Med Chem Lett 17: 272-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.049
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50423216
PNG
(CHEMBL247332)
Show SMILES O=C(Oc1cccc2cccnc12)c1cccc(c1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C20H18N2O4S/c23-20(26-18-10-4-6-15-8-5-11-21-19(15)18)16-7-3-9-17(14-16)27(24,25)22-12-1-2-13-22/h3-11,14H,1-2,12-13H2
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n/an/a 158n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CB1 receptor


Bioorg Med Chem Lett 17: 272-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.049
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50423208
PNG
(CHEMBL246302)
Show SMILES Oc1ccccc1NC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCCCCC1
Show InChI InChI=1S/C19H21ClN2O4S/c20-15-10-9-14(19(24)21-16-7-3-4-8-17(16)23)13-18(15)27(25,26)22-11-5-1-2-6-12-22/h3-4,7-10,13,23H,1-2,5-6,11-12H2,(H,21,24)
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n/an/a 200n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CB1 receptor


Bioorg Med Chem Lett 17: 272-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.049
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50423214
PNG
(CHEMBL427873)
Show SMILES Clc1ccc(NC(=O)c2cccc3ccccc23)cc1S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H19ClN2O4S/c22-19-9-8-16(14-20(19)29(26,27)24-10-12-28-13-11-24)23-21(25)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,14H,10-13H2,(H,23,25)
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n/an/a 398n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CB1 receptor


Bioorg Med Chem Lett 17: 272-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.049
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50423213
PNG
(CHEMBL248344)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C19H21FN2O3S/c1-14-8-9-15(19(23)21-17-7-5-6-16(20)13-17)12-18(14)26(24,25)22-10-3-2-4-11-22/h5-9,12-13H,2-4,10-11H2,1H3,(H,21,23)
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n/an/a 1.26E+3n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CB1 receptor


Bioorg Med Chem Lett 17: 272-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.049
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50423217
PNG
(CHEMBL246923)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1cccc2cnccc12
Show InChI InChI=1S/C22H23N3O3S/c1-16-8-9-17(14-21(16)29(27,28)25-12-3-2-4-13-25)22(26)24-20-7-5-6-18-15-23-11-10-19(18)20/h5-11,14-15H,2-4,12-13H2,1H3,(H,24,26)
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n/an/a 1.26E+3n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CB1 receptor


Bioorg Med Chem Lett 17: 272-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.049
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50423203
PNG
(CHEMBL246095)
Show SMILES Clc1ccccc1C(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C17H16Cl2N2O4S/c18-14-4-2-1-3-13(14)17(22)20-12-5-6-15(19)16(11-12)26(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10H2,(H,20,22)
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n/an/a 1.59E+3n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CB1 receptor


Bioorg Med Chem Lett 17: 272-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.049
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50423201
PNG
(CHEMBL246303)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C#N)cc1S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H19N3O4S/c1-14-5-6-17(21-19(23)16-4-2-3-15(11-16)13-20)12-18(14)27(24,25)22-7-9-26-10-8-22/h2-6,11-12H,7-10H2,1H3,(H,21,23)
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n/an/a 1.59E+3n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CB1 receptor


Bioorg Med Chem Lett 17: 272-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.049
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50423206
PNG
(CHEMBL395672)
Show SMILES Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C24H24N2O5S/c1-18-11-12-19(17-23(18)32(28,29)26-13-15-30-16-14-26)25-24(27)21-9-5-6-10-22(21)31-20-7-3-2-4-8-20/h2-12,17H,13-16H2,1H3,(H,25,27)
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n/an/a 2.00E+3n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CB1 receptor


Bioorg Med Chem Lett 17: 272-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.049
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50234402
PNG
(4-methyl-N-phenyl-3-(piperidin-1-ylsulfonyl)benzam...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H22N2O3S/c1-15-10-11-16(19(22)20-17-8-4-2-5-9-17)14-18(15)25(23,24)21-12-6-3-7-13-21/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H,20,22)
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n/an/a 3.16E+3n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CB1 receptor


Bioorg Med Chem Lett 17: 272-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.049
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM70185
PNG
(4-methyl-N-(5-methyl-2-pyridinyl)-3-(1-piperidinyl...)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)S(=O)(=O)N2CCCCC2)nc1
Show InChI InChI=1S/C19H23N3O3S/c1-14-6-9-18(20-13-14)21-19(23)16-8-7-15(2)17(12-16)26(24,25)22-10-4-3-5-11-22/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,20,21,23)
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n/an/a 3.16E+3n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CB1 receptor


Bioorg Med Chem Lett 17: 272-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.049
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50423200
PNG
(CHEMBL246713)
Show SMILES COc1ccccc1OC(=O)c1ccc(C)c(c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H21NO6S/c1-14-7-8-15(19(21)26-17-6-4-3-5-16(17)24-2)13-18(14)27(22,23)20-9-11-25-12-10-20/h3-8,13H,9-12H2,1-2H3
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n/an/a 3.16E+3n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CB1 receptor


Bioorg Med Chem Lett 17: 272-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.049
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50423211
PNG
(CHEMBL245891)
Show SMILES Clc1ccc(NC(=O)c2ccccc2)cc1S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C17H17ClN2O4S/c18-15-7-6-14(19-17(21)13-4-2-1-3-5-13)12-16(15)25(22,23)20-8-10-24-11-9-20/h1-7,12H,8-11H2,(H,19,21)
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n/an/a 3.98E+3n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CB1 receptor


Bioorg Med Chem Lett 17: 272-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.049
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50423215
PNG
(CHEMBL246093)
Show SMILES Nc1cccc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCCCC2)c1
Show InChI InChI=1S/C18H21N3O3S/c19-15-7-5-8-16(13-15)20-18(22)14-6-4-9-17(12-14)25(23,24)21-10-2-1-3-11-21/h4-9,12-13H,1-3,10-11,19H2,(H,20,22)
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n/an/a 5.01E+3n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CB1 receptor


Bioorg Med Chem Lett 17: 272-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.049
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50423212
PNG
(CHEMBL248345)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H20N2O3S/c1-14-9-10-15(18(21)19-16-7-3-2-4-8-16)13-17(14)24(22,23)20-11-5-6-12-20/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,19,21)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.31E+3n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CB1 receptor


Bioorg Med Chem Lett 17: 272-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.049
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50423210
PNG
(CHEMBL248140)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)S(=O)(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C20H24N2O3S/c1-15-6-10-18(11-7-15)21-20(23)17-9-8-16(2)19(14-17)26(24,25)22-12-4-3-5-13-22/h6-11,14H,3-5,12-13H2,1-2H3,(H,21,23)
PDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.94E+3n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CB1 receptor


Bioorg Med Chem Lett 17: 272-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.049
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%