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Compile Data Set for Download or QSAR

Found 193 hits with Last Name = 'kuo' and Initial = 'cw'   
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
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11233
PNG
(N-[(benzyloxy)carbonyl]-O-(tert-butyl)-L-threonyl-...)
Show SMILES C[C@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |r|
Show InChI InChI=1S/C32H48N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h6,9-10,13-14,19,21-22,24-27H,5,7-8,11-12,15-18,20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21-,24-,25-,26-,27-/m0/s1
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53 -41.5n/an/an/an/an/a7.525



TaiGen Biotechnology Co.



Assay Description
The effects of compound on enzyme activity were measured by using peptide cleavage assay. Cleavage products were resolved and analyzed with a reverse...


J Med Chem 49: 4971-80 (2006)


Article DOI: 10.1021/jm0603926
BindingDB Entry DOI: 10.7270/Q24B2ZJT
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11232
PNG
(N-[(benzyloxy)carbonyl]-O-(tert-butyl)-L-threonyl-...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C |r|
Show InChI InChI=1S/C33H50N4O8/c1-8-43-27(38)15-14-25(19-24-16-17-34-29(24)39)35-30(40)26(18-21(2)3)36-31(41)28(22(4)45-33(5,6)7)37-32(42)44-20-23-12-10-9-11-13-23/h9-15,21-22,24-26,28H,8,16-20H2,1-7H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/b15-14+/t22?,24-,25+,26-,28-/m0/s1
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58 -41.3n/an/an/an/an/a7.525



TaiGen Biotechnology Co.



Assay Description
The effects of compound on enzyme activity were measured by using peptide cleavage assay. Cleavage products were resolved and analyzed with a reverse...


J Med Chem 49: 4971-80 (2006)


Article DOI: 10.1021/jm0603926
BindingDB Entry DOI: 10.7270/Q24B2ZJT
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11231
PNG
(N-[(benzyloxy)carbonyl]-L-valyl-N1-((1S,2E)-4-etho...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C30H44N4O7/c1-6-40-25(35)13-12-23(17-22-14-15-31-27(22)36)32-28(37)24(16-19(2)3)33-29(38)26(20(4)5)34-30(39)41-18-21-10-8-7-9-11-21/h7-13,19-20,22-24,26H,6,14-18H2,1-5H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)/b13-12+/t22-,23+,24-,26-/m0/s1
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660 -35.3n/an/an/an/an/a7.525



TaiGen Biotechnology Co.



Assay Description
The effects of compound on enzyme activity were measured by using peptide cleavage assay. Cleavage products were resolved and analyzed with a reverse...


J Med Chem 49: 4971-80 (2006)


Article DOI: 10.1021/jm0603926
BindingDB Entry DOI: 10.7270/Q24B2ZJT
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11230
PNG
(AG7088 analogue 2d | CHEMBL277716 | N-[(benzyloxy)...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C33H42N4O7/c1-4-43-28(38)16-15-26(20-25-17-18-34-30(25)39)35-31(40)27(19-23-11-7-5-8-12-23)36-32(41)29(22(2)3)37-33(42)44-21-24-13-9-6-10-14-24/h5-16,22,25-27,29H,4,17-21H2,1-3H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/b16-15+/t25-,26+,27-,29-/m0/s1
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2.26E+3 -32.2n/an/an/an/an/a7.525



TaiGen Biotechnology Co.



Assay Description
The effects of compound on enzyme activity were measured by using peptide cleavage assay. Cleavage products were resolved and analyzed with a reverse...


J Med Chem 49: 4971-80 (2006)


Article DOI: 10.1021/jm0603926
BindingDB Entry DOI: 10.7270/Q24B2ZJT
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11229
PNG
(AG7088 analogue 2a | CHEMBL20636 | N-[(5-methyliso...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C |r|
Show InChI InChI=1S/C30H38FN5O7/c1-5-42-25(37)11-10-22(16-20-12-13-32-27(20)38)33-28(39)23(15-19-6-8-21(31)9-7-19)34-30(41)26(17(2)3)35-29(40)24-14-18(4)43-36-24/h6-11,14,17,20,22-23,26H,5,12-13,15-16H2,1-4H3,(H,32,38)(H,33,39)(H,34,41)(H,35,40)/b11-10+/t20-,22+,23-,26-/m0/s1
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>1.00E+4>-28.5n/an/an/an/an/a7.525



TaiGen Biotechnology Co.



Assay Description
The effects of compound on enzyme activity were measured by using peptide cleavage assay. Cleavage products were resolved and analyzed with a reverse...


J Med Chem 49: 4971-80 (2006)


Article DOI: 10.1021/jm0603926
BindingDB Entry DOI: 10.7270/Q24B2ZJT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253843
PNG
(1-(2,4-Dichlorophenyl)-4-ethyl-5-(5-(pent-1-ynyl)t...)
Show SMILES CCCC#Cc1ccc(s1)-c1c(CC)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C26H28Cl2N4OS/c1-3-5-7-10-19-12-14-23(34-19)25-20(4-2)24(26(33)30-31-15-8-6-9-16-31)29-32(25)22-13-11-18(27)17-21(22)28/h11-14,17H,3-6,8-9,15-16H2,1-2H3,(H,30,33)
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n/an/a 1.20n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253805
PNG
(CHEMBL460132 | N-(Azepan-1-yl)-1-(2,4-dichlorophen...)
Show SMILES CCCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C26H28Cl2N4OS/c1-3-4-7-10-20-12-14-23(34-20)25-18(2)24(26(33)30-31-15-8-5-6-9-16-31)29-32(25)22-13-11-19(27)17-21(22)28/h11-14,17H,3-6,8-9,15-16H2,1-2H3,(H,30,33)
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n/an/a 1.20n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253806
PNG
(1-(2,4-Dichlorophenyl)-4-methyl-5-(5-(4-methylpent...)
Show SMILES CC(C)CC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C26H28Cl2N4OS/c1-17(2)8-7-9-20-11-13-23(34-20)25-18(3)24(26(33)30-31-14-5-4-6-15-31)29-32(25)22-12-10-19(27)16-21(22)28/h10-13,16-17H,4-6,8,14-15H2,1-3H3,(H,30,33)
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n/an/a 1.20n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253807
PNG
(CHEMBL462686 | N-(Azepan-1-yl)-1-(2,4-dichlorophen...)
Show SMILES CC(C)CC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C27H30Cl2N4OS/c1-18(2)9-8-10-21-12-14-24(35-21)26-19(3)25(27(34)31-32-15-6-4-5-7-16-32)30-33(26)23-13-11-20(28)17-22(23)29/h11-14,17-18H,4-7,9,15-16H2,1-3H3,(H,31,34)
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n/an/a 1.20n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253844
PNG
(CHEMBL460987 | N-(Azepan-1-yl)-1-(2,4-dichlorophen...)
Show SMILES CCCC#Cc1ccc(s1)-c1c(CC)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C27H30Cl2N4OS/c1-3-5-8-11-20-13-15-24(35-20)26-21(4-2)25(27(34)31-32-16-9-6-7-10-17-32)30-33(26)23-14-12-19(28)18-22(23)29/h12-15,18H,3-7,9-10,16-17H2,1-2H3,(H,31,34)
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n/an/a 1.20n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253758
PNG
(1-(2,4-Dichlorophenyl)-4-methyl-5-(5-(pent-1-ynyl)...)
Show SMILES CCCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H26Cl2N4OS/c1-3-4-6-9-19-11-13-22(33-19)24-17(2)23(25(32)29-30-14-7-5-8-15-30)28-31(24)21-12-10-18(26)16-20(21)27/h10-13,16H,3-5,7-8,14-15H2,1-2H3,(H,29,32)
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n/an/a 1.20n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253918
PNG
(1-(2,4-Dichlorophenyl)-5-(5-(hex-1-ynyl)thiophen-2...)
Show SMILES CCCCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1
Show InChI InChI=1S/C28H30Cl2N4OS/c1-3-4-5-6-10-22-12-14-25(36-22)27-18(2)26(31-34(27)24-13-11-21(29)15-23(24)30)28(35)32-33-16-19-8-7-9-20(19)17-33/h11-15,19-20H,3-5,7-9,16-17H2,1-2H3,(H,32,35)
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n/an/a 1.30n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253917
PNG
(1-(2,4-Dichlorophenyl)-5-(5-(hex-1-ynyl)thiophen-2...)
Show SMILES CCCCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C26H28Cl2N4OS/c1-3-4-5-7-10-20-12-14-23(34-20)25-18(2)24(26(33)30-31-15-8-6-9-16-31)29-32(25)22-13-11-19(27)17-21(22)28/h11-14,17H,3-6,8-9,15-16H2,1-2H3,(H,30,33)
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n/an/a 1.40n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253298
PNG
(CHEMBL522522 | N-(Azepan-1-yl)-1-(2,4-dichlorophen...)
Show SMILES CCCCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C27H30Cl2N4OS/c1-3-4-5-8-11-21-13-15-24(35-21)26-19(2)25(27(34)31-32-16-9-6-7-10-17-32)30-33(26)23-14-12-20(28)18-22(23)29/h12-15,18H,3-7,9-10,16-17H2,1-2H3,(H,31,34)
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n/an/a 1.70n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253300
PNG
(CHEMBL494300 | N-Cyclohexyl-1-(2,4-dichlorophenyl)...)
Show SMILES CCCCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C27H29Cl2N3OS/c1-3-4-5-9-12-21-14-16-24(34-21)26-18(2)25(27(33)30-20-10-7-6-8-11-20)31-32(26)23-15-13-19(28)17-22(23)29/h13-17,20H,3-8,10-11H2,1-2H3,(H,30,33)
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n/an/a 2.10n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253806
PNG
(1-(2,4-Dichlorophenyl)-4-methyl-5-(5-(4-methylpent...)
Show SMILES CC(C)CC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C26H28Cl2N4OS/c1-17(2)8-7-9-20-11-13-23(34-20)25-18(3)24(26(33)30-31-14-5-4-6-15-31)29-32(25)22-12-10-19(27)16-21(22)28/h10-13,16-17H,4-6,8,14-15H2,1-3H3,(H,30,33)
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n/an/a 2.30n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253299
PNG
(1-(2,4-Dichlorophenyl)-5-(5-(hex-1-ynyl)thiophen-2...)
Show SMILES CCCCCCNC(=O)c1nn(c(c1C)-c1ccc(s1)C#CCCCC)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C27H31Cl2N3OS/c1-4-6-8-10-12-21-14-16-24(34-21)26-19(3)25(27(33)30-17-11-9-7-5-2)31-32(26)23-15-13-20(28)18-22(23)29/h13-16,18H,4-9,11,17H2,1-3H3,(H,30,33)
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n/an/a 2.60n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253757
PNG
(CHEMBL462069 | N-Butyl-1-(2,4-dichlorophenyl)-5-(5...)
Show SMILES CCCCNC(=O)c1nn(c(c1C)-c1ccc(s1)C#CCCCC)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H27Cl2N3OS/c1-4-6-8-9-10-19-12-14-22(32-19)24-17(3)23(25(31)28-15-7-5-2)29-30(24)21-13-11-18(26)16-20(21)27/h11-14,16H,4-8,15H2,1-3H3,(H,28,31)
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n/an/a 3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253807
PNG
(CHEMBL462686 | N-(Azepan-1-yl)-1-(2,4-dichlorophen...)
Show SMILES CC(C)CC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C27H30Cl2N4OS/c1-18(2)9-8-10-21-12-14-24(35-21)26-19(3)25(27(34)31-32-15-6-4-5-7-16-32)30-33(26)23-13-11-20(28)17-22(23)29/h11-14,17-18H,4-7,9,15-16H2,1-3H3,(H,31,34)
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n/an/a 4.90n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253845
PNG
(1-(2,4-Dichlorophenyl)-4-ethyl-5-(5-(4-methylpent-...)
Show SMILES CCc1c(nn(c1-c1ccc(s1)C#CCC(C)C)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C27H30Cl2N4OS/c1-4-21-25(27(34)31-32-15-6-5-7-16-32)30-33(23-13-11-19(28)17-22(23)29)26(21)24-14-12-20(35-24)10-8-9-18(2)3/h11-14,17-18H,4-7,9,15-16H2,1-3H3,(H,31,34)
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n/an/a 5.10n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253843
PNG
(1-(2,4-Dichlorophenyl)-4-ethyl-5-(5-(pent-1-ynyl)t...)
Show SMILES CCCC#Cc1ccc(s1)-c1c(CC)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C26H28Cl2N4OS/c1-3-5-7-10-19-12-14-23(34-19)25-20(4-2)24(26(33)30-31-15-8-6-9-16-31)29-32(25)22-13-11-18(27)17-21(22)28/h11-14,17H,3-6,8-9,15-16H2,1-2H3,(H,30,33)
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n/an/a 6.10n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253529
PNG
(1-(2,4-Dichlorophenyl)-4-methyl-5-(5-(4-phenylbut-...)
Show SMILES Cc1c(nn(c1-c1ccc(s1)C#CCCc1ccccc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C30H28Cl2N4OS/c1-21-28(30(37)34-35-18-8-3-9-19-35)33-36(26-16-14-23(31)20-25(26)32)29(21)27-17-15-24(38-27)13-7-6-12-22-10-4-2-5-11-22/h2,4-5,10-11,14-17,20H,3,6,8-9,12,18-19H2,1H3,(H,34,37)
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n/an/a 6.10n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279126
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-m...)
Show SMILES CN1C(=NC(=S)C1(C)C)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |c:2|
Show InChI InChI=1S/C22H19Cl3N4S/c1-12-18(20-26-21(30)22(2,3)28(20)4)27-29(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(23)8-6-13/h5-11H,1-4H3
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n/an/a 6.30n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
BindingDB Entry DOI: 10.7270/Q26W99Z4
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253805
PNG
(CHEMBL460132 | N-(Azepan-1-yl)-1-(2,4-dichlorophen...)
Show SMILES CCCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C26H28Cl2N4OS/c1-3-4-7-10-20-12-14-23(34-20)25-18(2)24(26(33)30-31-15-8-5-6-9-16-31)29-32(25)22-13-11-19(27)17-21(22)28/h11-14,17H,3-6,8-9,15-16H2,1-2H3,(H,30,33)
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n/an/a 7n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253476
PNG
(5-(5-(Cyclopentylethynyl)thiophen-2-yl)-1-(2,4-dic...)
Show SMILES Cc1c(nn(c1-c1ccc(s1)C#CC1CCCC1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C27H28Cl2N4OS/c1-18-25(27(34)31-32-15-5-2-6-16-32)30-33(23-13-10-20(28)17-22(23)29)26(18)24-14-12-21(35-24)11-9-19-7-3-4-8-19/h10,12-14,17,19H,2-8,15-16H2,1H3,(H,31,34)
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n/an/a 7.10n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253527
PNG
(5-(5-(Cyclohexylethynyl)thiophen-2-yl)-1-(2,4-dich...)
Show SMILES Cc1c(nn(c1-c1ccc(s1)C#CC1CCCCC1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C28H30Cl2N4OS/c1-19-26(28(35)32-33-16-6-3-7-17-33)31-34(24-14-11-21(29)18-23(24)30)27(19)25-15-13-22(36-25)12-10-20-8-4-2-5-9-20/h11,13-15,18,20H,2-9,16-17H2,1H3,(H,32,35)
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n/an/a 7.30n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253528
PNG
(5-(5-(Cyclohexylethynyl)thiophen-2-yl)-1-(2,4-dich...)
Show SMILES Cc1c(nn(c1-c1ccc(s1)C#CC1CCCCC1)-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1
Show InChI InChI=1S/C30H32Cl2N4OS/c1-19-28(30(37)34-35-17-21-8-5-9-22(21)18-35)33-36(26-14-11-23(31)16-25(26)32)29(19)27-15-13-24(38-27)12-10-20-6-3-2-4-7-20/h11,13-16,20-22H,2-9,17-18H2,1H3,(H,34,37)
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n/an/a 7.80n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253804
PNG
(1-(2,4-Dichlorophenyl)-N-(hexahydrocyclopenta[c]py...)
Show SMILES CCCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1
Show InChI InChI=1S/C27H28Cl2N4OS/c1-3-4-5-9-21-11-13-24(35-21)26-17(2)25(30-33(26)23-12-10-20(28)14-22(23)29)27(34)31-32-15-18-7-6-8-19(18)16-32/h10-14,18-19H,3-4,6-8,15-16H2,1-2H3,(H,31,34)
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n/an/a 7.90n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253844
PNG
(CHEMBL460987 | N-(Azepan-1-yl)-1-(2,4-dichlorophen...)
Show SMILES CCCC#Cc1ccc(s1)-c1c(CC)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C27H30Cl2N4OS/c1-3-5-8-11-20-13-15-24(35-20)26-21(4-2)25(27(34)31-32-16-9-6-7-10-17-32)30-33(26)23-14-12-19(28)18-22(23)29/h12-15,18H,3-7,9-10,16-17H2,1-2H3,(H,31,34)
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n/an/a 8.90n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253477
PNG
(5-(5-(Cyclopentylethynyl)thiophen-2-yl)-1-(2,4-dic...)
Show SMILES Cc1c(nn(c1-c1ccc(s1)C#CC1CCCC1)-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1
Show InChI InChI=1S/C29H30Cl2N4OS/c1-18-27(29(36)33-34-16-20-7-4-8-21(20)17-34)32-35(25-13-10-22(30)15-24(25)31)28(18)26-14-12-23(37-26)11-9-19-5-2-3-6-19/h10,12-15,19-21H,2-8,16-17H2,1H3,(H,33,36)
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n/an/a 10.5n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279166
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)
Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(=S)C(C)(C)N1C |t:25|
Show InChI InChI=1S/C23H21Cl3N4S/c1-5-16-19(21-27-22(31)23(2,3)29(21)4)28-30(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3
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n/an/a 12n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
BindingDB Entry DOI: 10.7270/Q26W99Z4
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279205
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)
Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC2(CCCCC2)C(=O)N1 |t:25|
Show InChI InChI=1S/C25H23Cl3N4O/c1-2-18-21(23-29-24(33)25(30-23)12-4-3-5-13-25)31-32(20-11-10-17(27)14-19(20)28)22(18)15-6-8-16(26)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,29,30,33)
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n/an/a 12.3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
BindingDB Entry DOI: 10.7270/Q26W99Z4
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253554
PNG
(3-(2,4-Dichlorophenyl)-4-(5-(3-ethoxyprop-1-ynyl)t...)
Show SMILES CCOCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H26Cl2N4O2S/c1-3-33-15-7-8-19-10-12-22(34-19)24-17(2)23(25(32)29-30-13-5-4-6-14-30)28-31(24)21-11-9-18(26)16-20(21)27/h9-12,16H,3-6,13-15H2,1-2H3,(H,29,32)
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n/an/a 12.7n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279086
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)
Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(=O)C(C)(C)N1C |t:25|
Show InChI InChI=1S/C23H21Cl3N4O/c1-5-16-19(21-27-22(31)23(2,3)29(21)4)28-30(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3
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n/an/a 12.9n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
BindingDB Entry DOI: 10.7270/Q26W99Z4
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 13.2n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
BindingDB Entry DOI: 10.7270/Q26W99Z4
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253758
PNG
(1-(2,4-Dichlorophenyl)-4-methyl-5-(5-(pent-1-ynyl)...)
Show SMILES CCCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H26Cl2N4OS/c1-3-4-6-9-19-11-13-22(33-19)24-17(2)23(25(32)29-30-14-7-5-8-15-30)28-31(24)21-12-10-18(26)16-20(21)27/h10-13,16H,3-5,7-8,14-15H2,1-2H3,(H,29,32)
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n/an/a 13.9n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279204
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)
Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC2(CCCC2)C(=O)N1 |t:25|
Show InChI InChI=1S/C24H21Cl3N4O/c1-2-17-20(22-28-23(32)24(29-22)11-3-4-12-24)30-31(19-10-9-16(26)13-18(19)27)21(17)14-5-7-15(25)8-6-14/h5-10,13H,2-4,11-12H2,1H3,(H,28,29,32)
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n/an/a 14.6n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
BindingDB Entry DOI: 10.7270/Q26W99Z4
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 15n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279125
PNG
(2-[1-(2,4-Dichloro-phenyl)-4-methyl-5-(4-trifluoro...)
Show SMILES CN1C(=NC(=O)C1(C)C)c1nn(c(c1C)-c1ccc(cc1)C(F)(F)F)-c1ccc(Cl)cc1Cl |c:2|
Show InChI InChI=1S/C23H19Cl2F3N4O/c1-12-18(20-29-21(33)22(2,3)31(20)4)30-32(17-10-9-15(24)11-16(17)25)19(12)13-5-7-14(8-6-13)23(26,27)28/h5-11H,1-4H3
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n/an/a 15.9n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
BindingDB Entry DOI: 10.7270/Q26W99Z4
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279123
PNG
(2-[5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-et...)
Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C1=NC(=O)C(C)(C)N1C |t:25|
Show InChI InChI=1S/C23H21BrCl2N4O/c1-5-16-19(21-27-22(31)23(2,3)29(21)4)28-30(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3
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n/an/a 16.3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
BindingDB Entry DOI: 10.7270/Q26W99Z4
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253883
PNG
(1-(2,4-Dichlorophenyl)-N-(hexahydrocyclopenta[c]py...)
Show SMILES CCCCCc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1
Show InChI InChI=1S/C27H32Cl2N4OS/c1-3-4-5-9-21-11-13-24(35-21)26-17(2)25(30-33(26)23-12-10-20(28)14-22(23)29)27(34)31-32-15-18-7-6-8-19(18)16-32/h10-14,18-19H,3-9,15-16H2,1-2H3,(H,31,34)
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n/an/a 20.6n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253475
PNG
(5-(5-(Cyclopropylethynyl)thiophen-2-yl)-1-(2,4-dic...)
Show SMILES Cc1c(nn(c1-c1ccc(s1)C#CC1CC1)-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1
Show InChI InChI=1S/C27H26Cl2N4OS/c1-16-25(27(34)31-32-14-18-3-2-4-19(18)15-32)30-33(23-11-8-20(28)13-22(23)29)26(16)24-12-10-21(35-24)9-7-17-5-6-17/h8,10-13,17-19H,2-6,14-15H2,1H3,(H,31,34)
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n/an/a 21n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253846
PNG
(1-(2,4-Dichlorophenyl)-4-methyl-5-[((E)-5-pent-1-e...)
Show SMILES CCC\C=C\c1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H28Cl2N4OS/c1-3-4-6-9-19-11-13-22(33-19)24-17(2)23(25(32)29-30-14-7-5-8-15-30)28-31(24)21-12-10-18(26)16-20(21)27/h6,9-13,16H,3-5,7-8,14-15H2,1-2H3,(H,29,32)/b9-6+
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n/an/a 21.6n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253329
PNG
(1-(2,4-Dichlorophenyl)-5-(5-(3,3-dimethylbut-1-yny...)
Show SMILES Cc1c(nn(c1-c1ccc(s1)C#CC(C)(C)C)-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1
Show InChI InChI=1S/C28H30Cl2N4OS/c1-17-25(27(35)32-33-15-18-6-5-7-19(18)16-33)31-34(23-10-8-20(29)14-22(23)30)26(17)24-11-9-21(36-24)12-13-28(2,3)4/h8-11,14,18-19H,5-7,15-16H2,1-4H3,(H,32,35)
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n/an/a 21.7n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279203
PNG
(6-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)
Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC2(CCC2)C(=O)N1 |t:25|
Show InChI InChI=1S/C23H19Cl3N4O/c1-2-16-19(21-27-22(31)23(28-21)10-3-11-23)29-30(18-9-8-15(25)12-17(18)26)20(16)13-4-6-14(24)7-5-13/h4-9,12H,2-3,10-11H2,1H3,(H,27,28,31)
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n/an/a 22.8n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
BindingDB Entry DOI: 10.7270/Q26W99Z4
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253555
PNG
(1-(2,4-Dichlorophenyl)-5-(5-(3-isopropoxyprop-1-yn...)
Show SMILES CC(C)OCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C26H28Cl2N4O2S/c1-17(2)34-15-7-8-20-10-12-23(35-20)25-18(3)24(26(33)30-31-13-5-4-6-14-31)29-32(25)22-11-9-19(27)16-21(22)28/h9-12,16-17H,4-6,13-15H2,1-3H3,(H,30,33)
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n/an/a 23.2n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253916
PNG
(CHEMBL461427 | N-(Azepan-1-yl)-5-(5-(but-1-ynyl)th...)
Show SMILES CCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C25H26Cl2N4OS/c1-3-4-9-19-11-13-22(33-19)24-17(2)23(25(32)29-30-14-7-5-6-8-15-30)28-31(24)21-12-10-18(26)16-20(21)27/h10-13,16H,3,5-8,14-15H2,1-2H3,(H,29,32)
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n/an/a 24.2n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253881
PNG
(1-(2,4-Dichlorophenyl)-4-methyl-5-[((E)-5-pent-1-e...)
Show SMILES CCC\C=C\c1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1
Show InChI InChI=1S/C27H30Cl2N4OS/c1-3-4-5-9-21-11-13-24(35-21)26-17(2)25(30-33(26)23-12-10-20(28)14-22(23)29)27(34)31-32-15-18-7-6-8-19(18)16-32/h5,9-14,18-19H,3-4,6-8,15-16H2,1-2H3,(H,31,34)/b9-5+
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n/an/a 27.5n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253915
PNG
(5-(5-(But-1-ynyl)thiophen-2-yl)-1-(2,4-dichlorophe...)
Show SMILES CCC#Cc1ccc(s1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1
Show InChI InChI=1S/C26H26Cl2N4OS/c1-3-4-8-20-10-12-23(34-20)25-16(2)24(29-32(25)22-11-9-19(27)13-21(22)28)26(33)30-31-14-17-6-5-7-18(17)15-31/h9-13,17-18H,3,5-7,14-15H2,1-2H3,(H,30,33)
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n/an/a 28.3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279202
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)
Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(C)(C)C(=O)N1 |t:25|
Show InChI InChI=1S/C22H19Cl3N4O/c1-4-15-18(20-26-21(30)22(2,3)27-20)28-29(17-10-9-14(24)11-16(17)25)19(15)12-5-7-13(23)8-6-12/h5-11H,4H2,1-3H3,(H,26,27,30)
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n/an/a 32.6n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
BindingDB Entry DOI: 10.7270/Q26W99Z4
More data for this
Ligand-Target Pair
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