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Compile Data Set for Download or QSAR

Found 131 hits with Last Name = 'sloan stribling' and Initial = 'd'   
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))
BDBM50200841
PNG
(CHEMBL220360 | MK-0364 | MK-0634 | N-((2S,3S)-4-(4...)
Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r|
Show InChI InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inverse agonist activity at cannabinoid CB1 receptor (unknown origin)


Bioorg Med Chem Lett 19: 2591-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.005
BindingDB Entry DOI: 10.7270/Q2PK0G1X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50259222
PNG
(2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)...)
Show SMILES CC(C)(C)c1nc(-c2ccc(F)cc2)c2cc(-c3ccc(Cl)cc3)c(nc2n1)-c1ccccc1Cl
Show InChI InChI=1S/C29H22Cl2FN3/c1-29(2,3)28-34-25(18-10-14-20(32)15-11-18)23-16-22(17-8-12-19(30)13-9-17)26(33-27(23)35-28)21-6-4-5-7-24(21)31/h4-16H,1-3H3
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n/an/a 0.630n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid CB1R expressed in CHO cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 19: 2591-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.005
BindingDB Entry DOI: 10.7270/Q2PK0G1X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50259391
PNG
(4-(5-tert-butyl-9-(4-chlorophenyl)-3-oxo-2,3-dihyd...)
Show SMILES CC(C)(C)c1nc2nc(-c3ccc(cc3Cl)C#N)c(cc2c2n[nH]c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H18Cl2N6O/c1-25(2,3)23-30-21-18(22-31-32-24(34)33(22)23)11-17(14-5-7-15(26)8-6-14)20(29-21)16-9-4-13(12-28)10-19(16)27/h4-11H,1-3H3,(H,32,34)
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid CB1R expressed in CHO cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 19: 2591-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.005
BindingDB Entry DOI: 10.7270/Q2PK0G1X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50259492
PNG
(5-tert-butyl-8-(2-chlorophenyl)-9-(4-(trifluoromet...)
Show SMILES CC(C)(C)c1nc2nc(-c3ccccc3Cl)c(cc2c2n[nH]c(=O)n12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H19ClF3N5O/c1-24(2,3)22-31-20-17(21-32-33-23(35)34(21)22)12-16(13-8-10-14(11-9-13)25(27,28)29)19(30-20)15-6-4-5-7-18(15)26/h4-12H,1-3H3,(H,33,35)
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n/an/a 1.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid CB1R expressed in CHO cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 19: 2591-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.005
BindingDB Entry DOI: 10.7270/Q2PK0G1X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50259337
PNG
(3-((7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-isopro...)
Show SMILES CC(C)c1nc(OCc2ncon2)c2cc(-c3ccc(Cl)cc3)c(nc2n1)-c1ccccc1Cl
Show InChI InChI=1S/C25H19Cl2N5O2/c1-14(2)23-30-24-19(25(31-23)33-12-21-28-13-34-32-21)11-18(15-7-9-16(26)10-8-15)22(29-24)17-5-3-4-6-20(17)27/h3-11,13-14H,12H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid CB1R expressed in CHO cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 19: 2591-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.005
BindingDB Entry DOI: 10.7270/Q2PK0G1X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160100
PNG
(2-(3,4-difluorobenzyloxy)-5-(4-chlorophenyl)-6-(2,...)
Show SMILES Fc1ccc(COc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C25H13Cl3F2N2O/c26-17-4-2-15(3-5-17)20-10-16(12-31)25(33-13-14-1-8-22(29)23(30)9-14)32-24(20)19-7-6-18(27)11-21(19)28/h1-11H,13H2
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n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
BindingDB Entry DOI: 10.7270/Q2X929SW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160115
PNG
(5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(3,4...)
Show SMILES COC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H16Cl3F2NO3/c1-34-26(33)20-12-19(15-3-5-16(27)6-4-15)24(18-8-7-17(28)11-21(18)29)32-25(20)35-13-14-2-9-22(30)23(31)10-14/h2-12H,13H2,1H3
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n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
BindingDB Entry DOI: 10.7270/Q2X929SW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160137
PNG
(2-Benzyloxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-ph...)
Show SMILES CCNC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCc1ccccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C27H21Cl3N2O2/c1-2-31-26(33)23-15-22(18-8-10-19(28)11-9-18)25(21-13-12-20(29)14-24(21)30)32-27(23)34-16-17-6-4-3-5-7-17/h3-15H,2,16H2,1H3,(H,31,33)
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n/an/a 1.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
BindingDB Entry DOI: 10.7270/Q2X929SW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160131
PNG
(5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(3,4...)
Show SMILES FCCNC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C27H18Cl3F3N2O2/c28-17-4-2-16(3-5-17)20-13-21(26(36)34-10-9-31)27(37-14-15-1-8-23(32)24(33)11-15)35-25(20)19-7-6-18(29)12-22(19)30/h1-8,11-13H,9-10,14H2,(H,34,36)
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n/an/a 1.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
BindingDB Entry DOI: 10.7270/Q2X929SW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160095
PNG
(5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(3,4...)
Show SMILES CCCNC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C28H21Cl3F2N2O2/c1-2-11-34-27(36)22-14-21(17-4-6-18(29)7-5-17)26(20-9-8-19(30)13-23(20)31)35-28(22)37-15-16-3-10-24(32)25(33)12-16/h3-10,12-14H,2,11,15H2,1H3,(H,34,36)
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n/an/a 1.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
BindingDB Entry DOI: 10.7270/Q2X929SW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160132
PNG
(5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(3,4...)
Show SMILES CC(C)NC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C28H21Cl3F2N2O2/c1-15(2)34-27(36)22-13-21(17-4-6-18(29)7-5-17)26(20-9-8-19(30)12-23(20)31)35-28(22)37-14-16-3-10-24(32)25(33)11-16/h3-13,15H,14H2,1-2H3,(H,34,36)
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n/an/a 1.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
BindingDB Entry DOI: 10.7270/Q2X929SW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160143
PNG
(5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(3,5...)
Show SMILES Fc1cc(F)cc(COc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C25H13Cl3F2N2O/c26-17-3-1-15(2-4-17)22-9-16(12-31)25(33-13-14-7-19(29)11-20(30)8-14)32-24(22)21-6-5-18(27)10-23(21)28/h1-11H,13H2
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n/an/a 1.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
BindingDB Entry DOI: 10.7270/Q2X929SW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160145
PNG
(2-Butoxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-pheny...)
Show SMILES CCCCOc1nc(-c2ccc(Cl)cc2Cl)c(cc1C(=O)OC)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H20Cl3NO3/c1-3-4-11-30-22-19(23(28)29-2)13-18(14-5-7-15(24)8-6-14)21(27-22)17-10-9-16(25)12-20(17)26/h5-10,12-13H,3-4,11H2,1-2H3
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n/an/a 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
BindingDB Entry DOI: 10.7270/Q2X929SW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160097
PNG
(5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(3,4...)
Show SMILES CCNC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C27H19Cl3F2N2O2/c1-2-33-26(35)21-13-20(16-4-6-17(28)7-5-16)25(19-9-8-18(29)12-22(19)30)34-27(21)36-14-15-3-10-23(31)24(32)11-15/h3-13H,2,14H2,1H3,(H,33,35)
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n/an/a 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
BindingDB Entry DOI: 10.7270/Q2X929SW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50259223
PNG
(2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)...)
Show SMILES CC(C)(C)c1nc(N2CCNCC2)c2cc(-c3ccc(Cl)cc3)c(nc2n1)-c1ccccc1Cl
Show InChI InChI=1S/C27H27Cl2N5/c1-27(2,3)26-32-24-21(25(33-26)34-14-12-30-13-15-34)16-20(17-8-10-18(28)11-9-17)23(31-24)19-6-4-5-7-22(19)29/h4-11,16,30H,12-15H2,1-3H3
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n/an/a 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid CB1R expressed in CHO cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 19: 2591-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.005
BindingDB Entry DOI: 10.7270/Q2PK0G1X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50259339
PNG
(5-tert-butyl-8-(2-chlorophenyl)-9-(4-chlorophenyl)...)
Show SMILES CC(C)(C)c1nc2nc(-c3ccccc3Cl)c(cc2c2n[nH]c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H19Cl2N5O/c1-24(2,3)22-28-20-17(21-29-30-23(32)31(21)22)12-16(13-8-10-14(25)11-9-13)19(27-20)15-6-4-5-7-18(15)26/h4-12H,1-3H3,(H,30,32)
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n/an/a 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid CB1R expressed in CHO cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 19: 2591-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.005
BindingDB Entry DOI: 10.7270/Q2PK0G1X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50259224
PNG
(2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)...)
Show SMILES CCN(CC)c1nc(nc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1)C(C)(C)C
Show InChI InChI=1S/C27H28Cl2N4/c1-6-33(7-2)25-21-16-20(17-12-14-18(28)15-13-17)23(19-10-8-9-11-22(19)29)30-24(21)31-26(32-25)27(3,4)5/h8-16H,6-7H2,1-5H3
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n/an/a 2.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid CB1R expressed in CHO cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 19: 2591-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.005
BindingDB Entry DOI: 10.7270/Q2PK0G1X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50259225
PNG
(CHEMBL513648 | N,2-di-tert-butyl-7-(2-chlorophenyl...)
Show SMILES CC(C)(C)Nc1nc(nc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1)C(C)(C)C
Show InChI InChI=1S/C27H28Cl2N4/c1-26(2,3)25-31-23-20(24(32-25)33-27(4,5)6)15-19(16-11-13-17(28)14-12-16)22(30-23)18-9-7-8-10-21(18)29/h7-15H,1-6H3,(H,30,31,32,33)
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n/an/a 2.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid CB1R expressed in CHO cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 19: 2591-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.005
BindingDB Entry DOI: 10.7270/Q2PK0G1X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160103
PNG
(5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(2,4...)
Show SMILES Fc1ccc(COc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)c(F)c1
Show InChI InChI=1S/C25H13Cl3F2N2O/c26-17-4-1-14(2-5-17)21-9-16(12-31)25(33-13-15-3-7-19(29)11-23(15)30)32-24(21)20-8-6-18(27)10-22(20)28/h1-11H,13H2
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n/an/a 2.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
BindingDB Entry DOI: 10.7270/Q2X929SW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160136
PNG
(5-(4-Chloro-phenyl)-2-cyclohexylmethoxy-6-(2,4-dic...)
Show SMILES COC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCC1CCCCC1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H24Cl3NO3/c1-32-26(31)22-14-21(17-7-9-18(27)10-8-17)24(20-12-11-19(28)13-23(20)29)30-25(22)33-15-16-5-3-2-4-6-16/h7-14,16H,2-6,15H2,1H3
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n/an/a 2.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
BindingDB Entry DOI: 10.7270/Q2X929SW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50259491
PNG
(5-tert-butyl-8-(2-chlorophenyl)-9-(4-methoxyphenyl...)
Show SMILES COc1ccc(cc1)-c1cc2c3n[nH]c(=O)n3c(nc2nc1-c1ccccc1Cl)C(C)(C)C
Show InChI InChI=1S/C25H22ClN5O2/c1-25(2,3)23-28-21-18(22-29-30-24(32)31(22)23)13-17(14-9-11-15(33-4)12-10-14)20(27-21)16-7-5-6-8-19(16)26/h5-13H,1-4H3,(H,30,32)
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid CB1R expressed in CHO cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 19: 2591-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.005
BindingDB Entry DOI: 10.7270/Q2PK0G1X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160099
PNG
(5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(4-f...)
Show SMILES Fc1ccc(COc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C25H14Cl3FN2O/c26-18-5-3-16(4-6-18)22-11-17(13-30)25(32-14-15-1-8-20(29)9-2-15)31-24(22)21-10-7-19(27)12-23(21)28/h1-12H,14H2
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n/an/a 3.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
BindingDB Entry DOI: 10.7270/Q2X929SW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160125
PNG
(5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(3,4...)
Show SMILES CNC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H17Cl3F2N2O2/c1-32-25(34)20-12-19(15-3-5-16(27)6-4-15)24(18-8-7-17(28)11-21(18)29)33-26(20)35-13-14-2-9-22(30)23(31)10-14/h2-12H,13H2,1H3,(H,32,34)
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n/an/a 3.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
BindingDB Entry DOI: 10.7270/Q2X929SW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50259392
PNG
(2-(5-tert-butyl-9-(4-chlorophenyl)-3-oxo-2,3-dihyd...)
Show SMILES CC(C)(C)c1nc2nc(-c3ccccc3C#N)c(cc2c2n[nH]c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H19ClN6O/c1-25(2,3)23-29-21-19(22-30-31-24(33)32(22)23)12-18(14-8-10-16(26)11-9-14)20(28-21)17-7-5-4-6-15(17)13-27/h4-12H,1-3H3,(H,31,33)
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n/an/a 3.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid CB1R expressed in CHO cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 19: 2591-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.005
BindingDB Entry DOI: 10.7270/Q2PK0G1X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160117
PNG
(5-(4-Chloro-phenyl)-2-cyclohexylmethoxy-6-(2,4-dic...)
Show SMILES CNC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCC1CCCCC1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H25Cl3N2O2/c1-30-25(32)22-14-21(17-7-9-18(27)10-8-17)24(20-12-11-19(28)13-23(20)29)31-26(22)33-15-16-5-3-2-4-6-16/h7-14,16H,2-6,15H2,1H3,(H,30,32)
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n/an/a 3.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
BindingDB Entry DOI: 10.7270/Q2X929SW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160108
PNG
(5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(4-t...)
Show SMILES FC(F)(F)c1ccc(COc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H14Cl3F3N2O/c27-19-7-3-16(4-8-19)22-11-17(13-33)25(34-24(22)21-10-9-20(28)12-23(21)29)35-14-15-1-5-18(6-2-15)26(30,31)32/h1-12H,14H2
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n/an/a 3.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
BindingDB Entry DOI: 10.7270/Q2X929SW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160113
PNG
(2-Benzyloxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-ph...)
Show SMILES COC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCc1ccccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H18Cl3NO3/c1-32-26(31)22-14-21(17-7-9-18(27)10-8-17)24(20-12-11-19(28)13-23(20)29)30-25(22)33-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3
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n/an/a 3.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
BindingDB Entry DOI: 10.7270/Q2X929SW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204174
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,4-d...)
Show SMILES Fc1ccc(Oc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C24H11Cl3F2N2O/c25-15-3-1-13(2-4-15)19-9-14(12-30)24(32-17-6-8-21(28)22(29)11-17)31-23(19)18-7-5-16(26)10-20(18)27/h1-11H
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n/an/a 3.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inverse agonist activity at cannabinoid CB1 receptor (unknown origin)


Bioorg Med Chem Lett 19: 2591-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.005
BindingDB Entry DOI: 10.7270/Q2PK0G1X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50259269
PNG
(2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)...)
Show SMILES CC(C)Nc1nc(nc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1)C(C)(C)C
Show InChI InChI=1S/C26H26Cl2N4/c1-15(2)29-23-20-14-19(16-10-12-17(27)13-11-16)22(18-8-6-7-9-21(18)28)30-24(20)32-25(31-23)26(3,4)5/h6-15H,1-5H3,(H,29,30,31,32)
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n/an/a 4.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid CB1R expressed in CHO cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 19: 2591-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.005
BindingDB Entry DOI: 10.7270/Q2PK0G1X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160092
PNG
(5-(4-Chloro-phenyl)-2-cyclohexylmethoxy-6-(2,4-dic...)
Show SMILES CCCNC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCC1CCCCC1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C28H29Cl3N2O2/c1-2-14-32-27(34)24-16-23(19-8-10-20(29)11-9-19)26(22-13-12-21(30)15-25(22)31)33-28(24)35-17-18-6-4-3-5-7-18/h8-13,15-16,18H,2-7,14,17H2,1H3,(H,32,34)
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n/an/a 5.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
BindingDB Entry DOI: 10.7270/Q2X929SW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50259390
PNG
(4-(5-tert-butyl-8-(2-chlorophenyl)-3-oxo-2,3-dihyd...)
Show SMILES CC(C)(C)c1nc2nc(-c3ccccc3Cl)c(cc2c2n[nH]c(=O)n12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H19ClN6O/c1-25(2,3)23-29-21-18(22-30-31-24(33)32(22)23)12-17(15-10-8-14(13-27)9-11-15)20(28-21)16-6-4-5-7-19(16)26/h4-12H,1-3H3,(H,31,33)
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n/an/a 5.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid CB1R expressed in CHO cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 19: 2591-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.005
BindingDB Entry DOI: 10.7270/Q2PK0G1X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50259140
PNG
(2-tert-butyl-6-(4-chlorophenyl)-7-(2,4-dichlorophe...)
Show SMILES CC(C)(C)c1nc2nc(-c3ccc(Cl)cc3Cl)c(cc2c(=O)[nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H18Cl3N3O/c1-23(2,3)22-28-20-17(21(30)29-22)11-16(12-4-6-13(24)7-5-12)19(27-20)15-9-8-14(25)10-18(15)26/h4-11H,1-3H3,(H,27,28,29,30)
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid CB1R expressed in CHO cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 19: 2591-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.005
BindingDB Entry DOI: 10.7270/Q2PK0G1X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160133
PNG
(2-Benzyloxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-ph...)
Show SMILES CCCNC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCc1ccccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C28H23Cl3N2O2/c1-2-14-32-27(34)24-16-23(19-8-10-20(29)11-9-19)26(22-13-12-21(30)15-25(22)31)33-28(24)35-17-18-6-4-3-5-7-18/h3-13,15-16H,2,14,17H2,1H3,(H,32,34)
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
BindingDB Entry DOI: 10.7270/Q2X929SW
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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n/an/a 6.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
BindingDB Entry DOI: 10.7270/Q2X929SW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160112
PNG
(6-(2,4-Dichloro-phenyl)-2-(3,4-difluoro-benzyloxy)...)
Show SMILES Cc1ccc(cc1)-c1cc(C#N)c(OCc2ccc(F)c(F)c2)nc1-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H16Cl2F2N2O/c1-15-2-5-17(6-3-15)21-11-18(13-31)26(33-14-16-4-9-23(29)24(30)10-16)32-25(21)20-8-7-19(27)12-22(20)28/h2-12H,14H2,1H3
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n/an/a 6.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
BindingDB Entry DOI: 10.7270/Q2X929SW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160127
PNG
(2-Benzyloxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-ph...)
Show SMILES CNC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCc1ccccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H19Cl3N2O2/c1-30-25(32)22-14-21(17-7-9-18(27)10-8-17)24(20-12-11-19(28)13-23(20)29)31-26(22)33-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,30,32)
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
BindingDB Entry DOI: 10.7270/Q2X929SW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160128
PNG
(6-(2,4-Dichloro-phenyl)-2-(3,4-difluoro-benzyloxy)...)
Show SMILES Fc1ccc(cc1)-c1cc(C#N)c(OCc2ccc(F)c(F)c2)nc1-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H13Cl2F3N2O/c26-17-4-7-19(21(27)11-17)24-20(15-2-5-18(28)6-3-15)10-16(12-31)25(32-24)33-13-14-1-8-22(29)23(30)9-14/h1-11H,13H2
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n/an/a 7.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
BindingDB Entry DOI: 10.7270/Q2X929SW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50259139
PNG
(2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)...)
Show SMILES CC(C)(C)c1nc2nc(-c3ccccc3Cl)c(cc2c(=O)[nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H19Cl2N3O/c1-23(2,3)22-27-20-17(21(29)28-22)12-16(13-8-10-14(24)11-9-13)19(26-20)15-6-4-5-7-18(15)25/h4-12H,1-3H3,(H,26,27,28,29)
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n/an/a 7.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid CB1R expressed in CHO cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 19: 2591-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.005
BindingDB Entry DOI: 10.7270/Q2PK0G1X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176435
PNG
(CHEMBL204232 | N-(3-acetyl-6-(4-chlorophenyl)-7-(2...)
Show SMILES CC(=O)Nc1c(C(C)=O)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H18Cl3N3O3/c1-12(32)21-23(29-13(2)33)19-11-18(14-4-6-15(26)7-5-14)22(30-24(19)31(3)25(21)34)17-9-8-16(27)10-20(17)28/h4-11H,1-3H3,(H,29,33)
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n/an/a 7.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inverse agonist activity at cannabinoid CB1 receptor (unknown origin)


Bioorg Med Chem Lett 19: 2591-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.005
BindingDB Entry DOI: 10.7270/Q2PK0G1X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50259271
PNG
(2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)...)
Show SMILES COc1nc(nc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1)C(C)(C)C
Show InChI InChI=1S/C24H21Cl2N3O/c1-24(2,3)23-28-21-18(22(29-23)30-4)13-17(14-9-11-15(25)12-10-14)20(27-21)16-7-5-6-8-19(16)26/h5-13H,1-4H3
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n/an/a 7.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid CB1R expressed in CHO cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 19: 2591-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.005
BindingDB Entry DOI: 10.7270/Q2PK0G1X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160138
PNG
(2-(3,4-difluorobenzyloxy)-6-(2-chlorophenyl)-5-(4-...)
Show SMILES Fc1ccc(COc2nc(-c3ccccc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C25H14Cl2F2N2O/c26-18-8-6-16(7-9-18)20-12-17(13-30)25(31-24(20)19-3-1-2-4-21(19)27)32-14-15-5-10-22(28)23(29)11-15/h1-12H,14H2
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
BindingDB Entry DOI: 10.7270/Q2X929SW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50259574
PNG
(5-tert-butyl-8-(2-chlorophenyl)-9-(4-chlorophenyl)...)
Show SMILES CC(C)(C)c1nc2nc(-c3ccccc3Cl)c(cc2c2nncn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H19Cl2N5/c1-24(2,3)23-29-21-18(22-30-27-13-31(22)23)12-17(14-8-10-15(25)11-9-14)20(28-21)16-6-4-5-7-19(16)26/h4-13H,1-3H3
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid CB1R expressed in CHO cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 19: 2591-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.005
BindingDB Entry DOI: 10.7270/Q2PK0G1X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50259272
PNG
(2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)...)
Show SMILES CN(C)c1nc(nc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1)C(C)(C)C
Show InChI InChI=1S/C25H24Cl2N4/c1-25(2,3)24-29-22-19(23(30-24)31(4)5)14-18(15-10-12-16(26)13-11-15)21(28-22)17-8-6-7-9-20(17)27/h6-14H,1-5H3
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n/an/a 8.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid CB1R expressed in CHO cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 19: 2591-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.005
BindingDB Entry DOI: 10.7270/Q2PK0G1X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50259336
PNG
(3-(2-tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophen...)
Show SMILES CC(C)(C)c1nc(NCC(F)(F)CO)c2cc(-c3ccc(Cl)cc3)c(nc2n1)-c1ccccc1Cl
Show InChI InChI=1S/C26H24Cl2F2N4O/c1-25(2,3)24-33-22(31-13-26(29,30)14-35)19-12-18(15-8-10-16(27)11-9-15)21(32-23(19)34-24)17-6-4-5-7-20(17)28/h4-12,35H,13-14H2,1-3H3,(H,31,32,33,34)
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n/an/a 9.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid CB1R expressed in CHO cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 19: 2591-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.005
BindingDB Entry DOI: 10.7270/Q2PK0G1X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50259493
PNG
(9-(4-acetylphenyl)-5-tert-butyl-8-(2-chlorophenyl)...)
Show SMILES CC(=O)c1ccc(cc1)-c1cc2c3n[nH]c(=O)n3c(nc2nc1-c1ccccc1Cl)C(C)(C)C
Show InChI InChI=1S/C26H22ClN5O2/c1-14(33)15-9-11-16(12-10-15)18-13-19-22(28-21(18)17-7-5-6-8-20(17)27)29-24(26(2,3)4)32-23(19)30-31-25(32)34/h5-13H,1-4H3,(H,31,34)
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid CB1R expressed in CHO cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 19: 2591-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.005
BindingDB Entry DOI: 10.7270/Q2PK0G1X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160107
PNG
(2-Benzyloxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-ph...)
Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(OCc2ccccc2)nc1-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H15Cl3N2O/c26-19-8-6-17(7-9-19)22-12-18(14-29)25(31-15-16-4-2-1-3-5-16)30-24(22)21-11-10-20(27)13-23(21)28/h1-13H,15H2
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
BindingDB Entry DOI: 10.7270/Q2X929SW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50259182
PNG
(2-tert-butyl-6-(4-chlorophenyl)-7-(2,4-dichlorophe...)
Show SMILES CC(C)(C)c1nc(N)c2cc(-c3ccc(Cl)cc3)c(nc2n1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H19Cl3N4/c1-23(2,3)22-29-20(27)17-11-16(12-4-6-13(24)7-5-12)19(28-21(17)30-22)15-9-8-14(25)10-18(15)26/h4-11H,1-3H3,(H2,27,28,29,30)
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid CB1R expressed in CHO cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 19: 2591-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.005
BindingDB Entry DOI: 10.7270/Q2PK0G1X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50259184
PNG
(7-(2-chlorophenyl)-2,6-bis(4-chlorophenyl)pyrido[2...)
Show SMILES Nc1nc(nc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H15Cl3N4/c26-16-9-5-14(6-10-16)19-13-20-23(29)31-24(15-7-11-17(27)12-8-15)32-25(20)30-22(19)18-3-1-2-4-21(18)28/h1-13H,(H2,29,30,31,32)
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n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid CB1R expressed in CHO cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 19: 2591-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.005
BindingDB Entry DOI: 10.7270/Q2PK0G1X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160111
PNG
(2-Butoxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-pheny...)
Show SMILES CCCCOc1nc(-c2ccc(Cl)cc2Cl)c(cc1C(=O)NC)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21Cl3N2O2/c1-3-4-11-30-23-19(22(29)27-2)13-18(14-5-7-15(24)8-6-14)21(28-23)17-10-9-16(25)12-20(17)26/h5-10,12-13H,3-4,11H2,1-2H3,(H,27,29)
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n/an/a 17n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
BindingDB Entry DOI: 10.7270/Q2X929SW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160129
PNG
(2-Benzyloxy-5-(4-chloro-phenyl)-N-cyclopentyl-6-(2...)
Show SMILES Clc1ccc(cc1)-c1cc(C(=O)NC2CCCC2)c(OCc2ccccc2)nc1-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C30H25Cl3N2O2/c31-21-12-10-20(11-13-21)25-17-26(29(36)34-23-8-4-5-9-23)30(37-18-19-6-2-1-3-7-19)35-28(25)24-15-14-22(32)16-27(24)33/h1-3,6-7,10-17,23H,4-5,8-9,18H2,(H,34,36)
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
BindingDB Entry DOI: 10.7270/Q2X929SW
More data for this
Ligand-Target Pair
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