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Compile Data Set for Download or QSAR

Found 390 hits with Last Name = 'navarro' and Initial = 'g'   
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
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50235937
PNG
(CHEMBL4095917)
Show SMILES CN1CCN(CC1)n1c2ccc(\C=C3/c4ccccc4COc4cc(F)ccc34)cc2[nH]c1=NC#N
Show InChI InChI=1S/C28H25FN6O/c1-33-10-12-34(13-11-33)35-26-9-6-19(15-25(26)32-28(35)31-18-30)14-24-22-5-3-2-4-20(22)17-36-27-16-21(29)7-8-23(24)27/h2-9,14-16H,10-13,17H2,1H3,(H,31,32)/b24-14+
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0.0800n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica (IQM-CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]-Aldosterone from MR overexpressed in human 293 cells measured after 2 hrs by Microbeta scintillation counting method


J Med Chem 60: 2629-2650 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01065
BindingDB Entry DOI: 10.7270/Q2HD7XXB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50443101
PNG
(Cariprazine | RGH-188)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:6.5,wD:9.9,(-.77,5.69,;.57,4.92,;1.9,5.69,;.57,3.38,;-.77,2.61,;1.9,2.61,;1.9,1.07,;3.23,.3,;3.23,-1.24,;1.9,-2.01,;1.9,-3.55,;3.23,-4.32,;3.23,-5.86,;4.57,-6.63,;4.57,-8.17,;3.23,-8.94,;1.9,-8.17,;1.9,-6.63,;3.23,-10.48,;4.57,-11.25,;4.57,-12.79,;3.23,-13.56,;1.9,-12.79,;.57,-13.56,;1.9,-11.25,;.57,-10.48,;.57,-1.24,;.57,.3,)|
Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17-
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0.0850n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50235934
PNG
(CHEMBL4086416)
Show SMILES [H][C@]12C[C@@H](CN1CCOC2)n1c2ccc(\C=C3\c4ccc(F)cc4OCc4c(F)cccc34)cc2[nH]c1=NC#N |r|
Show InChI InChI=1S/C30H25F2N5O2/c31-19-5-6-23-24(22-2-1-3-26(32)25(22)16-39-29(23)12-19)10-18-4-7-28-27(11-18)35-30(34-17-33)37(28)20-13-21-15-38-9-8-36(21)14-20/h1-7,10-12,20-21H,8-9,13-16H2,(H,34,35)/b24-10+/t20-,21+/m0/s1
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0.230n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica (IQM-CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]-Aldosterone from MR overexpressed in human 293 cells measured after 2 hrs by Microbeta scintillation counting method


J Med Chem 60: 2629-2650 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01065
BindingDB Entry DOI: 10.7270/Q2HD7XXB
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50235935
PNG
(CHEMBL4088896)
Show SMILES C[C@H](CN1CCOCC1)n1c2ccc(\C=C3/c4ccccc4COc4cc(F)ccc34)cc2[nH]c1=NC(N)=O |r|
Show InChI InChI=1S/C30H30FN5O3/c1-19(17-35-10-12-38-13-11-35)36-27-9-6-20(15-26(27)33-30(36)34-29(32)37)14-25-23-5-3-2-4-21(23)18-39-28-16-22(31)7-8-24(25)28/h2-9,14-16,19H,10-13,17-18H2,1H3,(H3,32,33,34,37)/b25-14+/t19-/m1/s1
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0.330n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica (IQM-CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]-Aldosterone from MR overexpressed in human 293 cells measured after 2 hrs by Microbeta scintillation counting method


J Med Chem 60: 2629-2650 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01065
BindingDB Entry DOI: 10.7270/Q2HD7XXB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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0.340n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50235936
PNG
(CHEMBL4099276)
Show SMILES C[C@H](CN1CCOCC1)n1c2ccc(\C=C3/c4ccccc4COc4cc(F)ccc34)cc2[nH]c1=NC#N |r|
Show InChI InChI=1S/C30H28FN5O2/c1-20(17-35-10-12-37-13-11-35)36-28-9-6-21(15-27(28)34-30(36)33-19-32)14-26-24-5-3-2-4-22(24)18-38-29-16-23(31)7-8-25(26)29/h2-9,14-16,20H,10-13,17-18H2,1H3,(H,33,34)/b26-14+/t20-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica (IQM-CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]-Aldosterone from MR overexpressed in human 293 cells measured after 2 hrs by Microbeta scintillation counting method


J Med Chem 60: 2629-2650 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01065
BindingDB Entry DOI: 10.7270/Q2HD7XXB
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50235981
PNG
(CHEMBL4063735)
Show SMILES C[C@H](CN1CCOCC1)n1c2ccc(\C=C3/c4ccc(F)cc4COc4cc(F)ccc34)cc2[nH]c1=NC#N |r|
Show InChI InChI=1S/C30H27F2N5O2/c1-19(16-36-8-10-38-11-9-36)37-28-7-2-20(13-27(28)35-30(37)34-18-33)12-26-24-5-3-22(31)14-21(24)17-39-29-15-23(32)4-6-25(26)29/h2-7,12-15,19H,8-11,16-17H2,1H3,(H,34,35)/b26-12+/t19-/m1/s1
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0.790n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica (IQM-CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]-Aldosterone from MR overexpressed in human 293 cells measured after 2 hrs by Microbeta scintillation counting method


J Med Chem 60: 2629-2650 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01065
BindingDB Entry DOI: 10.7270/Q2HD7XXB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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0.800n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180036
PNG
((6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetra...)
Show SMILES CCCC(C)(C)c1ccc2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13|
Show InChI InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1
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3.40n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation spectrometric method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180036
PNG
((6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetra...)
Show SMILES CCCC(C)(C)c1ccc2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13|
Show InChI InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1
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3.40n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation spectrometric method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50609164
PNG
(CHEMBL5289063)
Show SMILES Oc1ccc(N2CCCN(CCCCOc3ccc4ccnn4c3)CC2)c2ccc(=O)[nH]c12
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3.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50532455
PNG
(CHEMBL4557358)
Show SMILES CCCCCCC(C)(C)c1cc(OCCO)c2-c3[nH]ncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34N2O3/c1-6-7-8-9-10-22(2,3)16-13-18(27-12-11-26)20-19(14-16)28-23(4,5)17-15-24-25-21(17)20/h13-15,26H,6-12H2,1-5H3,(H,24,25)
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3.60n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50532455
PNG
(CHEMBL4557358)
Show SMILES CCCCCCC(C)(C)c1cc(OCCO)c2-c3[nH]ncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34N2O3/c1-6-7-8-9-10-22(2,3)16-13-18(27-12-11-26)20-19(14-16)28-23(4,5)17-15-24-25-21(17)20/h13-15,26H,6-12H2,1-5H3,(H,24,25)
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3.60n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50532460
PNG
(CHEMBL4441538)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3c(cnn3CC)C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34N2O2/c1-7-9-10-11-12-22(3,4)16-13-18(26)20-19(14-16)27-23(5,6)17-15-24-25(8-2)21(17)20/h13-15,26H,7-12H2,1-6H3
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4.5n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50532460
PNG
(CHEMBL4441538)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3c(cnn3CC)C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34N2O2/c1-7-9-10-11-12-22(3,4)16-13-18(26)20-19(14-16)27-23(5,6)17-15-24-25(8-2)21(17)20/h13-15,26H,7-12H2,1-6H3
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4.5n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50532476
PNG
(CHEMBL4527391)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3c(cnn3-c3ccc(Cl)cc3Cl)C(C)(C)Oc2c1
Show InChI InChI=1S/C27H32Cl2N2O2/c1-6-7-8-9-12-26(2,3)17-13-22(32)24-23(14-17)33-27(4,5)19-16-30-31(25(19)24)21-11-10-18(28)15-20(21)29/h10-11,13-16,32H,6-9,12H2,1-5H3
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5.20n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50532476
PNG
(CHEMBL4527391)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3c(cnn3-c3ccc(Cl)cc3Cl)C(C)(C)Oc2c1
Show InChI InChI=1S/C27H32Cl2N2O2/c1-6-7-8-9-12-26(2,3)17-13-22(32)24-23(14-17)33-27(4,5)19-16-30-31(25(19)24)21-11-10-18(28)15-20(21)29/h10-11,13-16,32H,6-9,12H2,1-5H3
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5.20n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50532440
PNG
(CHEMBL4585657)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3oncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H29NO3/c1-6-7-8-9-10-20(2,3)14-11-16(23)18-17(12-14)24-21(4,5)15-13-22-25-19(15)18/h11-13,23H,6-10H2,1-5H3
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5.30n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50532440
PNG
(CHEMBL4585657)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3oncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H29NO3/c1-6-7-8-9-10-20(2,3)14-11-16(23)18-17(12-14)24-21(4,5)15-13-22-25-19(15)18/h11-13,23H,6-10H2,1-5H3
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5.30n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
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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7.30n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
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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7.30n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50154362
PNG
(CHEMBL3775798)
Show SMILES [H][C@]12C[C@H](CN1CCOC2)n1c2ccc(\C=C3/c4ccccc4COc4cc(F)ccc34)cc2[nH]c1=O |r|
Show InChI InChI=1S/C29H26FN3O3/c30-20-6-7-24-25(23-4-2-1-3-19(23)16-36-28(24)13-20)11-18-5-8-27-26(12-18)31-29(34)33(27)21-14-22-17-35-10-9-32(22)15-21/h1-8,11-13,21-22H,9-10,14-17H2,(H,31,34)/b25-11+/t21-,22-/m1/s1
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9n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica (IQM-CSIC)

Curated by ChEMBL


Assay Description
Compound was tested for its ability to stimulate [35S]GTP-gamma-S, binding to membranes from C6 glioma cells stably expressing rat mu opioid receptor


J Med Chem 60: 2629-2650 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01065
BindingDB Entry DOI: 10.7270/Q2HD7XXB
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50235933
PNG
(CHEMBL3775714)
Show SMILES Fc1ccc2c(OCc3ccccc3\C2=C/c2ccc3[nH]c(=O)[nH]c3c2)c1
Show InChI InChI=1S/C22H15FN2O2/c23-15-6-7-17-18(9-13-5-8-19-20(10-13)25-22(26)24-19)16-4-2-1-3-14(16)12-27-21(17)11-15/h1-11H,12H2,(H2,24,25,26)/b18-9+
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12n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica (IQM-CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]-cortisol from MR overexpressed in human 293 cells measured after 2 hrs by Microbeta scintillation counting method


J Med Chem 60: 2629-2650 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01065
BindingDB Entry DOI: 10.7270/Q2HD7XXB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50518031
PNG
(CHEMBL4445841)
Show SMILES Cn1ccc2c(cccc12)N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C26H32N4O2/c1-28-13-11-22-24(28)5-4-6-25(22)30-16-14-29(15-17-30)12-2-3-18-32-21-9-7-20-8-10-26(31)27-23(20)19-21/h4-7,9,11,13,19H,2-3,8,10,12,14-18H2,1H3,(H,27,31)
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12n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50532442
PNG
(CHEMBL4444725)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c2-c3oncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C22H31NO3/c1-7-8-9-10-11-21(2,3)15-12-17(24-6)19-18(13-15)25-22(4,5)16-14-23-26-20(16)19/h12-14H,7-11H2,1-6H3
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13n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50532442
PNG
(CHEMBL4444725)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c2-c3oncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C22H31NO3/c1-7-8-9-10-11-21(2,3)15-12-17(24-6)19-18(13-15)25-22(4,5)16-14-23-26-20(16)19/h12-14H,7-11H2,1-6H3
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13n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50532467
PNG
(CHEMBL4467761)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3nn(C)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C22H32N2O2/c1-7-8-9-10-11-21(2,3)15-12-17(25)19-18(13-15)26-22(4,5)16-14-24(6)23-20(16)19/h12-14,25H,7-11H2,1-6H3
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14n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50532467
PNG
(CHEMBL4467761)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3nn(C)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C22H32N2O2/c1-7-8-9-10-11-21(2,3)15-12-17(25)19-18(13-15)26-22(4,5)16-14-24(6)23-20(16)19/h12-14,25H,7-11H2,1-6H3
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14n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50532440
PNG
(CHEMBL4585657)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3oncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H29NO3/c1-6-7-8-9-10-20(2,3)14-11-16(23)18-17(12-14)24-21(4,5)15-13-22-25-19(15)18/h11-13,23H,6-10H2,1-5H3
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15n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50532440
PNG
(CHEMBL4585657)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3oncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H29NO3/c1-6-7-8-9-10-20(2,3)14-11-16(23)18-17(12-14)24-21(4,5)15-13-22-25-19(15)18/h11-13,23H,6-10H2,1-5H3
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15n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50532438
PNG
(CHEMBL4441649)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3c(cnn3CCO)C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34N2O3/c1-6-7-8-9-10-22(2,3)16-13-18(27)20-19(14-16)28-23(4,5)17-15-24-25(11-12-26)21(17)20/h13-15,26-27H,6-12H2,1-5H3
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19n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50532438
PNG
(CHEMBL4441649)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3c(cnn3CCO)C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34N2O3/c1-6-7-8-9-10-22(2,3)16-13-18(27)20-19(14-16)28-23(4,5)17-15-24-25(11-12-26)21(17)20/h13-15,26-27H,6-12H2,1-5H3
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19n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50532479
PNG
(CHEMBL4463214)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3nn(CC)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34N2O2/c1-7-9-10-11-12-22(3,4)16-13-18(26)20-19(14-16)27-23(5,6)17-15-25(8-2)24-21(17)20/h13-15,26H,7-12H2,1-6H3
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19n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50532479
PNG
(CHEMBL4463214)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3nn(CC)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34N2O2/c1-7-9-10-11-12-22(3,4)16-13-18(26)20-19(14-16)27-23(5,6)17-15-25(8-2)24-21(17)20/h13-15,26H,7-12H2,1-6H3
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19n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50532474
PNG
(CHEMBL4465748)
Show SMILES CCCCCCC(C)(C)c1cc(OCc2ccccc2)c2-c3[nH]ncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C28H36N2O2/c1-6-7-8-12-15-27(2,3)21-16-23(31-19-20-13-10-9-11-14-20)25-24(17-21)32-28(4,5)22-18-29-30-26(22)25/h9-11,13-14,16-18H,6-8,12,15,19H2,1-5H3,(H,29,30)
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22n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50532474
PNG
(CHEMBL4465748)
Show SMILES CCCCCCC(C)(C)c1cc(OCc2ccccc2)c2-c3[nH]ncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C28H36N2O2/c1-6-7-8-12-15-27(2,3)21-16-23(31-19-20-13-10-9-11-14-20)25-24(17-21)32-28(4,5)22-18-29-30-26(22)25/h9-11,13-14,16-18H,6-8,12,15,19H2,1-5H3,(H,29,30)
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22n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50265621
PNG
(((1R,4S,5R)-4-(2,6-dimethoxy-4-(2-methyloctan-2-yl...)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c([C@H]2C=C(CO)[C@@H]3C[C@H]2C3(C)C)c(OC)c1 |r,t:16|
Show InChI InChI=1S/C27H42O3/c1-8-9-10-11-12-26(2,3)19-14-23(29-6)25(24(15-19)30-7)20-13-18(17-28)21-16-22(20)27(21,4)5/h13-15,20-22,28H,8-12,16-17H2,1-7H3/t20-,21-,22+/m0/s1
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23n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]HU-243 from rat CB2 receptor expressed in African green monkey COS7 cell membranes after 90 mins


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50265621
PNG
(((1R,4S,5R)-4-(2,6-dimethoxy-4-(2-methyloctan-2-yl...)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c([C@H]2C=C(CO)[C@@H]3C[C@H]2C3(C)C)c(OC)c1 |r,t:16|
Show InChI InChI=1S/C27H42O3/c1-8-9-10-11-12-26(2,3)19-14-23(29-6)25(24(15-19)30-7)20-13-18(17-28)21-16-22(20)27(21,4)5/h13-15,20-22,28H,8-12,16-17H2,1-7H3/t20-,21-,22+/m0/s1
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23n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]HU-243 from rat CB2 receptor expressed in African green monkey COS7 cell membranes after 90 mins


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50532443
PNG
(CHEMBL4441832)
Show SMILES CCCCCCC(C)(C)c1cc(OCCCO)c2-c3[nH]ncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H36N2O3/c1-6-7-8-9-11-23(2,3)17-14-19(28-13-10-12-27)21-20(15-17)29-24(4,5)18-16-25-26-22(18)21/h14-16,27H,6-13H2,1-5H3,(H,25,26)
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26n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50532443
PNG
(CHEMBL4441832)
Show SMILES CCCCCCC(C)(C)c1cc(OCCCO)c2-c3[nH]ncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H36N2O3/c1-6-7-8-9-11-23(2,3)17-14-19(28-13-10-12-27)21-20(15-17)29-24(4,5)18-16-25-26-22(18)21/h14-16,27H,6-13H2,1-5H3,(H,25,26)
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26n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50609163
PNG
(CHEMBL5272965)
Show SMILES CC1Cc2ccccc2N1C(=O)NCCCCN(C)[C@H]1Cc2cccc3[nH]c(=O)n(C1)c23 |r|
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27n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50532461
PNG
(CHEMBL4472364)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3[nH]ncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H30N2O2/c1-6-7-8-9-10-20(2,3)14-11-16(24)18-17(12-14)25-21(4,5)15-13-22-23-19(15)18/h11-13,24H,6-10H2,1-5H3,(H,22,23)
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29n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50532461
PNG
(CHEMBL4472364)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3[nH]ncc3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H30N2O2/c1-6-7-8-9-10-20(2,3)14-11-16(24)18-17(12-14)25-21(4,5)15-13-22-23-19(15)18/h11-13,24H,6-10H2,1-5H3,(H,22,23)
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29n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50532448
PNG
(CHEMBL4475298)
Show SMILES CCCCCCC(C)(C)c1cc(OCCO)c2-c3nn(C)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H36N2O3/c1-7-8-9-10-11-23(2,3)17-14-19(28-13-12-27)21-20(15-17)29-24(4,5)18-16-26(6)25-22(18)21/h14-16,27H,7-13H2,1-6H3
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40n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50532448
PNG
(CHEMBL4475298)
Show SMILES CCCCCCC(C)(C)c1cc(OCCO)c2-c3nn(C)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H36N2O3/c1-7-8-9-10-11-23(2,3)17-14-19(28-13-12-27)21-20(15-17)29-24(4,5)18-16-26(6)25-22(18)21/h14-16,27H,7-13H2,1-6H3
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40n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50532456
PNG
(CHEMBL4581919)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3nn(CCO)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34N2O3/c1-6-7-8-9-10-22(2,3)16-13-18(27)20-19(14-16)28-23(4,5)17-15-25(11-12-26)24-21(17)20/h13-15,26-27H,6-12H2,1-5H3
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40n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50532456
PNG
(CHEMBL4581919)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3nn(CCO)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H34N2O3/c1-6-7-8-9-10-22(2,3)16-13-18(27)20-19(14-16)28-23(4,5)17-15-25(11-12-26)24-21(17)20/h13-15,26-27H,6-12H2,1-5H3
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40n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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44n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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