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Compile Data Set for Download or QSAR

Found 370 hits with Last Name = 'lavoie' and Initial = 'r'   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302760
PNG
(CHEMBL568818 | N,N-diethyl-4-((1-(2-(furan-3-yl)et...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccoc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C28H35N3O3/c1-3-30(4-2)28(33)23-8-10-24(11-9-23)31(26-6-5-7-27(32)20-26)25-13-17-29(18-14-25)16-12-22-15-19-34-21-22/h5-11,15,19-21,25,32H,3-4,12-14,16-18H2,1-2H3
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0.220n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302755
PNG
(CHEMBL569316 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccccn2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C29H36N4O2/c1-3-32(4-2)29(35)23-11-13-25(14-12-23)33(27-9-7-10-28(34)22-27)26-16-20-31(21-17-26)19-15-24-8-5-6-18-30-24/h5-14,18,22,26,34H,3-4,15-17,19-21H2,1-2H3
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0.240n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302759
PNG
(CHEMBL584941 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccsc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C28H35N3O2S/c1-3-30(4-2)28(33)23-8-10-24(11-9-23)31(26-6-5-7-27(32)20-26)25-13-17-29(18-14-25)16-12-22-15-19-34-21-22/h5-11,15,19-21,25,32H,3-4,12-14,16-18H2,1-2H3
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0.270n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302756
PNG
(4-((1-(2-(1H-imidazol-2-yl)ethyl)piperidin-4-yl)(3...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ncc[nH]2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C27H35N5O2/c1-3-31(4-2)27(34)21-8-10-22(11-9-21)32(24-6-5-7-25(33)20-24)23-12-17-30(18-13-23)19-14-26-28-15-16-29-26/h5-11,15-16,20,23,33H,3-4,12-14,17-19H2,1-2H3,(H,28,29)
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0.300n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302765
PNG
(CHEMBL569755 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccccc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C30H37N3O2/c1-3-32(4-2)30(35)25-13-15-26(16-14-25)33(28-11-8-12-29(34)23-28)27-18-21-31(22-19-27)20-17-24-9-6-5-7-10-24/h5-16,23,27,34H,3-4,17-22H2,1-2H3
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0.420n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302758
PNG
(CHEMBL570000 | N,N-diethyl-4-((1-(2-(furan-2-yl)et...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccco2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C28H35N3O3/c1-3-30(4-2)28(33)22-10-12-23(13-11-22)31(25-7-5-8-26(32)21-25)24-14-17-29(18-15-24)19-16-27-9-6-20-34-27/h5-13,20-21,24,32H,3-4,14-19H2,1-2H3
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0.420n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302763
PNG
(CHEMBL569728 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccc(C)cc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C31H39N3O2/c1-4-33(5-2)31(36)26-13-15-27(16-14-26)34(29-7-6-8-30(35)23-29)28-18-21-32(22-19-28)20-17-25-11-9-24(3)10-12-25/h6-16,23,28,35H,4-5,17-22H2,1-3H3
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0.640n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302757
PNG
(CHEMBL568803 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2cccs2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C28H35N3O2S/c1-3-30(4-2)28(33)22-10-12-23(13-11-22)31(25-7-5-8-26(32)21-25)24-14-17-29(18-15-24)19-16-27-9-6-20-34-27/h5-13,20-21,24,32H,3-4,14-19H2,1-2H3
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0.650n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302761
PNG
(CHEMBL569006 | N,N-diethyl-4-((1-(3-fluorophenethy...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2cccc(F)c2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C30H36FN3O2/c1-3-33(4-2)30(36)24-11-13-26(14-12-24)34(28-9-6-10-29(35)22-28)27-16-19-32(20-17-27)18-15-23-7-5-8-25(31)21-23/h5-14,21-22,27,35H,3-4,15-20H2,1-2H3
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0.700n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302762
PNG
(CHEMBL576267 | N,N-diethyl-4-((1-(2-fluorophenethy...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccccc2F)CC1)c1cccc(O)c1
Show InChI InChI=1S/C30H36FN3O2/c1-3-33(4-2)30(36)24-12-14-25(15-13-24)34(27-9-7-10-28(35)22-27)26-17-20-32(21-18-26)19-16-23-8-5-6-11-29(23)31/h5-15,22,26,35H,3-4,16-21H2,1-2H3
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0.760n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302766
PNG
(4-((1-(2-cyclopropylethyl)piperidin-4-yl)(3-hydrox...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCC2CC2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C27H37N3O2/c1-3-29(4-2)27(32)22-10-12-23(13-11-22)30(25-6-5-7-26(31)20-25)24-15-18-28(19-16-24)17-14-21-8-9-21/h5-7,10-13,20-21,24,31H,3-4,8-9,14-19H2,1-2H3
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0.970n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302769
PNG
(CHEMBL571324 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(C)CC1)c1cccc(O)c1
Show InChI InChI=1S/C23H31N3O2/c1-4-25(5-2)23(28)18-9-11-19(12-10-18)26(20-13-15-24(3)16-14-20)21-7-6-8-22(27)17-21/h6-12,17,20,27H,4-5,13-16H2,1-3H3
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0.990n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302768
PNG
(4-((1-(but-3-enyl)piperidin-4-yl)(3-hydroxyphenyl)...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCC=C)CC1)c1cccc(O)c1
Show InChI InChI=1S/C26H35N3O2/c1-4-7-17-27-18-15-23(16-19-27)29(24-9-8-10-25(30)20-24)22-13-11-21(12-14-22)26(31)28(5-2)6-3/h4,8-14,20,23,30H,1,5-7,15-19H2,2-3H3
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1n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302777
PNG
(CHEMBL569529 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccncc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C29H36N4O2/c1-3-32(4-2)29(35)24-8-10-25(11-9-24)33(27-6-5-7-28(34)22-27)26-15-20-31(21-16-26)19-14-23-12-17-30-18-13-23/h5-13,17-18,22,26,34H,3-4,14-16,19-21H2,1-2H3
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1n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
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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1.10n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50039029
PNG
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302764
PNG
(CHEMBL568865 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CC(C)c2ccccc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C31H39N3O2/c1-4-33(5-2)31(36)26-14-16-27(17-15-26)34(29-12-9-13-30(35)22-29)28-18-20-32(21-19-28)23-24(3)25-10-7-6-8-11-25/h6-17,22,24,28,35H,4-5,18-21,23H2,1-3H3
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1.40n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302776
PNG
(4-((1-(2-(1H-imidazol-4-yl)ethyl)piperidin-4-yl)(3...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2cnc[nH]2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C27H35N5O2/c1-3-31(4-2)27(34)21-8-10-23(11-9-21)32(25-6-5-7-26(33)18-25)24-13-16-30(17-14-24)15-12-22-19-28-20-29-22/h5-11,18-20,24,33H,3-4,12-17H2,1-2H3,(H,28,29)
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1.60n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302778
PNG
(CHEMBL570448 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2nccn2C)CC1)c1cccc(O)c1
Show InChI InChI=1S/C28H37N5O2/c1-4-32(5-2)28(35)22-9-11-23(12-10-22)33(25-7-6-8-26(34)21-25)24-13-17-31(18-14-24)19-15-27-29-16-20-30(27)3/h6-12,16,20-21,24,34H,4-5,13-15,17-19H2,1-3H3
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1.70n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50208974
PNG
(CHEMBL390543 | N-cyclohexyl-2-(2,4-dichlorophenyl)...)
Show SMILES Cc1ccc(cc1)-n1cc(nc1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H23Cl2N3O/c1-15-7-10-18(11-8-15)28-14-21(23(29)26-17-5-3-2-4-6-17)27-22(28)19-12-9-16(24)13-20(19)25/h7-14,17H,2-6H2,1H3,(H,26,29)
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1.90n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50208948
PNG
(2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-cyclohexyl...)
Show SMILES Clc1ccc(cc1)-n1cc(nc1-c1ccccc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H21Cl2N3O/c23-15-10-12-17(13-11-15)27-14-20(22(28)25-16-6-2-1-3-7-16)26-21(27)18-8-4-5-9-19(18)24/h4-5,8-14,16H,1-3,6-7H2,(H,25,28)
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2.20n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198507
PNG
(2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-methyl...)
Show SMILES Cc1c2c(CCN(N3CCCCC3)C2=O)n(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |(-4.72,3.29,;-4.23,1.83,;-2.75,1.36,;-2.75,-.19,;-1.41,-.96,;-.07,-.19,;-.07,1.36,;1.26,2.13,;2.6,1.34,;3.93,2.11,;3.94,3.65,;2.61,4.42,;1.26,3.66,;-1.41,2.14,;-1.41,3.68,;-4.22,-.67,;-5.13,.57,;-6.67,.56,;-7.45,1.88,;-8.98,1.87,;-9.74,.53,;-11.28,.52,;-8.96,-.8,;-7.42,-.78,;-4.68,-2.14,;-6.19,-2.46,;-6.66,-3.93,;-5.62,-5.07,;-6.09,-6.53,;-4.11,-4.73,;-3.65,-3.27,;-2.15,-2.93,)|
Show InChI InChI=1S/C25H24Cl3N3O/c1-16-23-22(11-14-30(25(23)32)29-12-3-2-4-13-29)31(21-10-9-19(27)15-20(21)28)24(16)17-5-7-18(26)8-6-17/h5-10,15H,2-4,11-14H2,1H3
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2.20n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
BindingDB Entry DOI: 10.7270/Q2M9089N
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302767
PNG
(4-((1-(2-cyclohexylethyl)piperidin-4-yl)(3-hydroxy...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCC2CCCCC2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C30H43N3O2/c1-3-32(4-2)30(35)25-13-15-26(16-14-25)33(28-11-8-12-29(34)23-28)27-18-21-31(22-19-27)20-17-24-9-6-5-7-10-24/h8,11-16,23-24,27,34H,3-7,9-10,17-22H2,1-2H3
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2.30n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198532
PNG
(1-(2-chlorophenyl)-2-(4-chlorophenyl)-5-cyclohexyl...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(Cl)cc1)-c1ccccc1Cl |(26.26,-34.21,;26.75,-35.67,;28.23,-36.14,;28.24,-37.69,;29.57,-38.46,;30.91,-37.69,;30.91,-36.14,;32.25,-35.37,;33.58,-36.16,;34.91,-35.39,;34.92,-33.85,;33.59,-33.08,;32.25,-33.84,;29.57,-35.36,;29.57,-33.82,;26.77,-38.17,;25.85,-36.93,;24.31,-36.94,;23.54,-35.62,;22,-35.63,;21.24,-36.97,;19.7,-36.98,;22.03,-38.3,;23.56,-38.28,;26.3,-39.64,;24.79,-39.96,;24.32,-41.43,;25.36,-42.57,;26.87,-42.23,;27.33,-40.77,;28.84,-40.43,)|
Show InChI InChI=1S/C26H26Cl2N2O/c1-17-24-23(15-16-29(26(24)31)20-7-3-2-4-8-20)30(22-10-6-5-9-21(22)28)25(17)18-11-13-19(27)14-12-18/h5-6,9-14,20H,2-4,7-8,15-16H2,1H3
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2.80n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
BindingDB Entry DOI: 10.7270/Q2M9089N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198519
PNG
(1-(2-chlorophenyl)-2-(4-chlorophenyl)-3-methyl-5-(...)
Show SMILES Cc1c2c(CCN(N3CCCCC3)C2=O)n(c1-c1ccc(Cl)cc1)-c1ccccc1Cl |(-.3,-22.8,;.19,-24.26,;1.67,-24.73,;1.68,-26.28,;3.01,-27.05,;4.35,-26.28,;4.35,-24.73,;5.68,-23.96,;7.02,-24.75,;8.35,-23.99,;8.36,-22.45,;7.03,-21.67,;5.69,-22.44,;3.01,-23.95,;3.01,-22.41,;.2,-26.76,;-.71,-25.52,;-2.25,-25.54,;-3.02,-24.21,;-4.56,-24.22,;-5.32,-25.56,;-6.86,-25.58,;-4.53,-26.89,;-3,-26.87,;-.26,-28.23,;-1.77,-28.55,;-2.24,-30.02,;-1.2,-31.16,;.31,-30.82,;.77,-29.36,;2.27,-29.02,)|
Show InChI InChI=1S/C25H25Cl2N3O/c1-17-23-22(13-16-29(25(23)31)28-14-5-2-6-15-28)30(21-8-4-3-7-20(21)27)24(17)18-9-11-19(26)12-10-18/h3-4,7-12H,2,5-6,13-16H2,1H3
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3.5n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
BindingDB Entry DOI: 10.7270/Q2M9089N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50208975
PNG
(1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethyl-N-((1...)
Show SMILES CCc1c(nc(-c2ccccc2Cl)n1-c1ccc(Br)cc1)C(=O)N[C@H]1CCCC[C@@H]1O
Show InChI InChI=1S/C24H25BrClN3O2/c1-2-20-22(24(31)27-19-9-5-6-10-21(19)30)28-23(17-7-3-4-8-18(17)26)29(20)16-13-11-15(25)12-14-16/h3-4,7-8,11-14,19,21,30H,2,5-6,9-10H2,1H3,(H,27,31)/t19-,21-/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50140237
PNG
(1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-1H-imi...)
Show SMILES Clc1ccc(cc1)-n1cc(nc1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H20Cl3N3O/c23-14-6-9-17(10-7-14)28-13-20(22(29)26-16-4-2-1-3-5-16)27-21(28)18-11-8-15(24)12-19(18)25/h6-13,16H,1-5H2,(H,26,29)
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3.90n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198526
PNG
(5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-(4-...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(cc1)C(F)(F)F)-c1ccc(Cl)cc1Cl |(24.84,-43.69,;25.32,-45.15,;26.8,-45.62,;26.81,-47.17,;28.14,-47.94,;29.49,-47.17,;29.49,-45.62,;30.82,-44.86,;32.15,-45.64,;33.48,-44.88,;33.49,-43.34,;32.16,-42.56,;30.82,-43.33,;28.14,-44.85,;28.14,-43.31,;25.34,-47.66,;24.42,-46.42,;22.88,-46.43,;22.11,-45.1,;20.57,-45.11,;19.81,-46.45,;20.6,-47.79,;22.14,-47.77,;18.27,-46.47,;16.73,-46.46,;18.28,-48.01,;18.27,-44.93,;24.87,-49.12,;23.36,-49.45,;22.9,-50.91,;23.93,-52.05,;23.47,-53.52,;25.44,-51.72,;25.91,-50.25,;27.41,-49.92,)|
Show InChI InChI=1S/C27H25Cl2F3N2O/c1-16-24-23(13-14-33(26(24)35)20-5-3-2-4-6-20)34(22-12-11-19(28)15-21(22)29)25(16)17-7-9-18(10-8-17)27(30,31)32/h7-12,15,20H,2-6,13-14H2,1H3
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4.10n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
BindingDB Entry DOI: 10.7270/Q2M9089N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50208955
PNG
(2-(2-chlorophenyl)-N-cyclohexyl-1-p-tolyl-1H-imida...)
Show SMILES Cc1ccc(cc1)-n1cc(nc1-c1ccccc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H24ClN3O/c1-16-11-13-18(14-12-16)27-15-21(23(28)25-17-7-3-2-4-8-17)26-22(27)19-9-5-6-10-20(19)24/h5-6,9-15,17H,2-4,7-8H2,1H3,(H,25,28)
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4.60n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50208951
PNG
(CHEMBL229583 | N-cyclohexyl-2-(2,4-dichlorophenyl)...)
Show SMILES COc1ccc(cc1)-n1cc(nc1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H23Cl2N3O2/c1-30-18-10-8-17(9-11-18)28-14-21(23(29)26-16-5-3-2-4-6-16)27-22(28)19-12-7-15(24)13-20(19)25/h7-14,16H,2-6H2,1H3,(H,26,29)
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4.90n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50208968
PNG
(2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-((...)
Show SMILES CCc1c(nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1)C(=O)N[C@H]1CCCC[C@@H]1O
Show InChI InChI=1S/C24H25Cl2N3O2/c1-2-20-22(24(31)27-19-9-5-6-10-21(19)30)28-23(17-7-3-4-8-18(17)26)29(20)16-13-11-15(25)12-14-16/h3-4,7-8,11-14,19,21,30H,2,5-6,9-10H2,1H3,(H,27,31)/t19-,21-/m0/s1
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5n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198529
PNG
(5-cyclohexyl-1-(2,4-dichlorophenyl)-2-(3,4-dimetho...)
Show SMILES COc1ccc(cc1OC)-c1c(C)c2c(CCN(C3CCCCC3)C2=O)n1-c1ccc(Cl)cc1Cl |(17.67,-33.55,;18.45,-34.87,;19.99,-34.86,;20.78,-36.19,;22.31,-36.17,;23.06,-34.83,;22.29,-33.51,;20.75,-33.52,;19.97,-32.19,;20.73,-30.85,;24.6,-34.82,;25.5,-33.56,;25.02,-32.1,;26.98,-34.03,;26.99,-35.58,;28.32,-36.35,;29.66,-35.58,;29.66,-34.03,;31,-33.26,;32.33,-34.04,;33.66,-33.28,;33.67,-31.74,;32.34,-30.97,;31,-31.73,;28.32,-33.25,;28.32,-31.71,;25.52,-36.06,;25.05,-37.53,;23.54,-37.85,;23.08,-39.31,;24.11,-40.45,;23.65,-41.92,;25.62,-40.12,;26.08,-38.65,;27.59,-38.32,)|
Show InChI InChI=1S/C28H30Cl2N2O3/c1-17-26-23(13-14-31(28(26)33)20-7-5-4-6-8-20)32(22-11-10-19(29)16-21(22)30)27(17)18-9-12-24(34-2)25(15-18)35-3/h9-12,15-16,20H,4-8,13-14H2,1-3H3
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5.5n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
BindingDB Entry DOI: 10.7270/Q2M9089N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50208972
PNG
(2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-((1S,2S)-2...)
Show SMILES CCCc1c(nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1)C(=O)N[C@H]1CCCC[C@@H]1O
Show InChI InChI=1S/C25H27Cl2N3O2/c1-2-7-21-23(25(32)28-20-10-5-6-11-22(20)31)29-24(18-8-3-4-9-19(18)27)30(21)17-14-12-16(26)13-15-17/h3-4,8-9,12-15,20,22,31H,2,5-7,10-11H2,1H3,(H,28,32)/t20-,22-/m0/s1
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5.70n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198525
PNG
(5-cyclohexyl-1-(2,4-dichlorophenyl)-2-(4-fluorophe...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(F)cc1)-c1ccc(Cl)cc1Cl |(24.41,-25.67,;24.9,-27.13,;26.37,-27.6,;26.38,-29.15,;27.72,-29.92,;29.06,-29.15,;29.06,-27.61,;30.39,-26.84,;31.73,-27.62,;33.06,-26.86,;33.07,-25.32,;31.73,-24.54,;30.39,-25.31,;27.72,-26.83,;27.72,-25.29,;24.91,-29.64,;24,-28.4,;22.46,-28.41,;21.68,-27.08,;20.14,-27.09,;19.38,-28.43,;17.84,-28.45,;20.17,-29.77,;21.71,-29.75,;24.44,-31.1,;22.94,-31.43,;22.47,-32.89,;23.51,-34.03,;23.04,-35.5,;25.02,-33.7,;25.48,-32.23,;26.98,-31.9,)|
Show InChI InChI=1S/C26H25Cl2FN2O/c1-16-24-23(13-14-30(26(24)32)20-5-3-2-4-6-20)31(22-12-9-18(27)15-21(22)28)25(16)17-7-10-19(29)11-8-17/h7-12,15,20H,2-6,13-14H2,1H3
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6n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
BindingDB Entry DOI: 10.7270/Q2M9089N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50208969
PNG
(2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-((1S,2R)-2...)
Show SMILES O[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1cn(c(n1)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H19Cl2N3O2/c26-16-9-11-17(12-10-16)30-14-21(28-24(30)19-7-3-4-8-20(19)27)25(32)29-23-18-6-2-1-5-15(18)13-22(23)31/h1-12,14,22-23,31H,13H2,(H,29,32)/t22-,23+/m1/s1
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6.30n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50208978
PNG
(2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-((1S,2S)-2...)
Show SMILES Cc1c(nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1)C(=O)N[C@H]1CCCC[C@@H]1O
Show InChI InChI=1S/C23H23Cl2N3O2/c1-14-21(23(30)26-19-8-4-5-9-20(19)29)27-22(17-6-2-3-7-18(17)25)28(14)16-12-10-15(24)11-13-16/h2-3,6-7,10-13,19-20,29H,4-5,8-9H2,1H3,(H,26,30)/t19-,20-/m0/s1
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6.90n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50208973
PNG
(1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dimethylphe...)
Show SMILES Cc1ccc(-c2nc(cn2-c2ccc(Cl)cc2)C(=O)NC2CCCCC2)c(C)c1
Show InChI InChI=1S/C24H26ClN3O/c1-16-8-13-21(17(2)14-16)23-27-22(24(29)26-19-6-4-3-5-7-19)15-28(23)20-11-9-18(25)10-12-20/h8-15,19H,3-7H2,1-2H3,(H,26,29)
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7.20n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198516
PNG
(1-(2-chlorophenyl)-5-cyclohexyl-2-(4-methoxyphenyl...)
Show SMILES COc1ccc(cc1)-c1c(C)c2c(CCN(C3CCCCC3)C2=O)n1-c1ccccc1Cl |(-8.63,2.58,;-7.85,1.25,;-6.31,1.27,;-5.55,2.61,;-4.01,2.62,;-3.23,1.29,;-3.98,-.05,;-5.52,-.07,;-1.69,1.3,;-.79,2.57,;-1.28,4.03,;.68,2.1,;.69,.55,;2.03,-.22,;3.37,.55,;3.37,2.1,;4.7,2.86,;6.04,2.08,;7.37,2.84,;7.38,4.38,;6.04,5.16,;4.7,4.39,;2.03,2.87,;2.03,4.41,;-.78,.06,;-1.25,-1.4,;-2.75,-1.73,;-3.22,-3.19,;-2.18,-4.33,;-.67,-4,;-.21,-2.53,;1.29,-2.2,)|
Show InChI InChI=1S/C27H29ClN2O2/c1-18-25-24(16-17-29(27(25)31)20-8-4-3-5-9-20)30(23-11-7-6-10-22(23)28)26(18)19-12-14-21(32-2)15-13-19/h6-7,10-15,20H,3-5,8-9,16-17H2,1-2H3
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7.5n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
BindingDB Entry DOI: 10.7270/Q2M9089N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198513
PNG
(2-(4-chlorophenyl)-5-cyclohexyl-1-(2,4-dichlorophe...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |(23.24,5.12,;23.72,3.66,;25.2,3.19,;25.21,1.64,;26.54,.87,;27.89,1.64,;27.89,3.19,;29.22,3.96,;30.55,3.17,;31.88,3.94,;31.89,5.48,;30.56,6.25,;29.22,5.49,;26.54,3.97,;26.55,5.51,;23.74,1.16,;22.82,2.4,;21.29,2.39,;20.51,3.71,;18.97,3.7,;18.21,2.36,;16.67,2.35,;19,1.03,;20.54,1.05,;23.27,-.31,;21.77,-.63,;21.3,-2.1,;22.33,-3.24,;21.87,-4.7,;23.84,-2.9,;24.31,-1.44,;25.81,-1.1,)|
Show InChI InChI=1S/C26H25Cl3N2O/c1-16-24-23(13-14-30(26(24)32)20-5-3-2-4-6-20)31(22-12-11-19(28)15-21(22)29)25(16)17-7-9-18(27)10-8-17/h7-12,15,20H,2-6,13-14H2,1H3
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7.5n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
BindingDB Entry DOI: 10.7270/Q2M9089N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50123692
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-1H-pyr...)
Show SMILES Clc1ccc(cc1)-c1cc(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C21H19Cl3N4O/c22-15-6-4-14(5-7-15)20-13-18(21(29)26-27-10-2-1-3-11-27)25-28(20)19-9-8-16(23)12-17(19)24/h4-9,12-13H,1-3,10-11H2,(H,26,29)
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7.80n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198511
PNG
(5-cyclohexyl-1-(2,4-dichlorophenyl)-2-(4-methoxyph...)
Show SMILES COc1ccc(cc1)-c1c(C)c2c(CCN(C3CCCCC3)C2=O)n1-c1ccc(Cl)cc1Cl |(-7.11,4.66,;-6.32,3.34,;-4.78,3.35,;-4.02,4.69,;-2.49,4.7,;-1.71,3.38,;-2.46,2.04,;-4,2.02,;-.17,3.39,;.73,4.65,;.24,6.11,;2.21,4.18,;2.21,2.63,;3.55,1.86,;4.89,2.63,;4.89,4.18,;6.22,4.95,;7.56,4.17,;8.89,4.93,;8.9,6.47,;7.57,7.24,;6.22,6.48,;3.55,4.96,;3.55,6.5,;.74,2.15,;.28,.68,;-1.23,.36,;-1.7,-1.1,;-.66,-2.24,;-1.13,-3.71,;.85,-1.91,;1.31,-.44,;2.81,-.11,)|
Show InChI InChI=1S/C27H28Cl2N2O2/c1-17-25-24(14-15-30(27(25)32)20-6-4-3-5-7-20)31(23-13-10-19(28)16-22(23)29)26(17)18-8-11-21(33-2)12-9-18/h8-13,16,20H,3-7,14-15H2,1-2H3
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7.90n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
BindingDB Entry DOI: 10.7270/Q2M9089N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50208956
PNG
(CHEMBL229584 | N-cyclohexyl-2-(2,4-dichlorophenyl)...)
Show SMILES Fc1ccc(cc1)-n1cc(nc1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H20Cl2FN3O/c23-14-6-11-18(19(24)12-14)21-27-20(22(29)26-16-4-2-1-3-5-16)13-28(21)17-9-7-15(25)8-10-17/h6-13,16H,1-5H2,(H,26,29)
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8.20n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50208982
PNG
(2-(2-chlorophenyl)-N-cyclohexyl-1-(4-methoxyphenyl...)
Show SMILES COc1ccc(cc1)-n1cc(nc1-c1ccccc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H24ClN3O2/c1-29-18-13-11-17(12-14-18)27-15-21(23(28)25-16-7-3-2-4-8-16)26-22(27)19-9-5-6-10-20(19)24/h5-6,9-16H,2-4,7-8H2,1H3,(H,25,28)
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9n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198535
PNG
(5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-(4-...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(C=C)cc1)-c1ccc(Cl)cc1Cl |(24.28,6.62,;24.77,5.16,;26.25,4.69,;26.25,3.14,;27.59,2.37,;28.93,3.14,;28.93,4.69,;30.26,5.46,;31.6,4.67,;32.93,5.43,;32.94,6.97,;31.61,7.75,;30.27,6.99,;27.59,5.47,;27.59,7.01,;24.78,2.65,;23.87,3.9,;22.33,3.89,;21.55,5.21,;20.01,5.2,;19.25,3.86,;17.71,3.84,;16.93,5.17,;20.04,2.53,;21.58,2.54,;24.31,1.19,;22.81,.87,;22.34,-.6,;23.38,-1.74,;22.91,-3.21,;24.89,-1.41,;25.35,.06,;26.85,.39,)|
Show InChI InChI=1S/C28H28Cl2N2O/c1-3-19-9-11-20(12-10-19)27-18(2)26-25(32(27)24-14-13-21(29)17-23(24)30)15-16-31(28(26)33)22-7-5-4-6-8-22/h3,9-14,17,22H,1,4-8,15-16H2,2H3
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9.80n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
BindingDB Entry DOI: 10.7270/Q2M9089N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198517
PNG
(5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-p-t...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(C)cc1)-c1ccc(Cl)cc1Cl |(.74,-41.76,;1.22,-43.22,;2.7,-43.69,;2.71,-45.24,;4.04,-46.01,;5.39,-45.24,;5.39,-43.69,;6.72,-42.92,;8.05,-43.71,;9.38,-42.95,;9.39,-41.41,;8.06,-40.63,;6.72,-41.4,;4.04,-42.91,;4.05,-41.37,;1.24,-45.72,;.32,-44.48,;-1.22,-44.49,;-1.99,-43.17,;-3.53,-43.18,;-4.29,-44.52,;-5.83,-44.54,;-3.5,-45.85,;-1.96,-45.83,;.77,-47.19,;-.73,-47.51,;-1.2,-48.98,;-.17,-50.12,;-.63,-51.58,;1.34,-49.78,;1.81,-48.32,;3.31,-47.98,)|
Show InChI InChI=1S/C27H28Cl2N2O/c1-17-8-10-19(11-9-17)26-18(2)25-24(31(26)23-13-12-20(28)16-22(23)29)14-15-30(27(25)32)21-6-4-3-5-7-21/h8-13,16,21H,3-7,14-15H2,1-2H3
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10n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
BindingDB Entry DOI: 10.7270/Q2M9089N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50208971
PNG
(5-butyl-2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-((...)
Show SMILES CCCCc1c(nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1)C(=O)N[C@H]1CCCC[C@@H]1O
Show InChI InChI=1S/C26H29Cl2N3O2/c1-2-3-11-22-24(26(33)29-21-10-6-7-12-23(21)32)30-25(19-8-4-5-9-20(19)28)31(22)18-15-13-17(27)14-16-18/h4-5,8-9,13-16,21,23,32H,2-3,6-7,10-12H2,1H3,(H,29,33)/t21-,23-/m0/s1
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10n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302773
PNG
(CHEMBL570645 | N,N-diethyl-4-((3-methoxyphenyl)(1-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2cccs2)CC1)c1cccc(OC)c1
Show InChI InChI=1S/C29H37N3O2S/c1-4-31(5-2)29(33)23-11-13-24(14-12-23)32(26-8-6-9-27(22-26)34-3)25-15-18-30(19-16-25)20-17-28-10-7-21-35-28/h6-14,21-22,25H,4-5,15-20H2,1-3H3
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11n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50302771
PNG
(CHEMBL569704 | N,N-diethyl-4-((1-(2-(furan-3-yl)et...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccoc2)CC1)c1cccc(OC)c1
Show InChI InChI=1S/C29H37N3O3/c1-4-31(5-2)29(33)24-9-11-25(12-10-24)32(27-7-6-8-28(21-27)34-3)26-14-18-30(19-15-26)17-13-23-16-20-35-22-23/h6-12,16,20-22,26H,4-5,13-15,17-19H2,1-3H3
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14n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5994-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50208976
PNG
(CHEMBL395322 | rac-2-(2-chlorophenyl)-1-(4-chlorop...)
Show SMILES O[C@H]1[C@H](Cc2ccccc12)NC(=O)c1cn(c(n1)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H19Cl2N3O2/c26-16-9-11-17(12-10-16)30-14-22(28-24(30)19-7-3-4-8-20(19)27)25(32)29-21-13-15-5-1-2-6-18(15)23(21)31/h1-12,14,21,23,31H,13H2,(H,29,32)/t21-,23+/m0/s1
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17n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50208970
PNG
(2-(2-chlorophenyl)-N-cyclohexyl-1-(4-methylcyclohe...)
Show SMILES CC1CCC(CC1)n1cc(nc1-c1ccccc1Cl)C(=O)NC1CCCCC1 |(11.36,-34.1,;12.9,-34.14,;13.71,-32.83,;15.24,-32.87,;15.98,-34.23,;15.18,-35.54,;13.64,-35.5,;17.52,-34.26,;18.51,-33.08,;19.93,-33.67,;19.82,-35.2,;18.32,-35.57,;17.51,-36.88,;15.97,-36.82,;15.16,-38.13,;15.89,-39.49,;17.43,-39.53,;18.24,-38.22,;19.78,-38.27,;21.24,-32.86,;21.2,-31.32,;22.6,-33.59,;23.91,-32.78,;25.27,-33.52,;26.58,-32.71,;26.54,-31.17,;25.18,-30.44,;23.86,-31.25,)|
Show InChI InChI=1S/C23H30ClN3O/c1-16-11-13-18(14-12-16)27-15-21(23(28)25-17-7-3-2-4-8-17)26-22(27)19-9-5-6-10-20(19)24/h5-6,9-10,15-18H,2-4,7-8,11-14H2,1H3,(H,25,28)
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17n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2706-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB
More data for this
Ligand-Target Pair
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