new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 211 hits with Last Name = 'fulp' and Initial = 'a'   
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))
BDBM192521
PNG
(US9187480, 4-[8-(2-chlorophenyl)-9-(4-chlorophenyl...)
Show SMILES NC(=O)C1(CCC(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1 |(2.32,2.42,;.83,2.02,;-.25,3.11,;.44,.53,;-.9,1.3,;-2.23,.53,;-2.23,-1.01,;-.9,-1.78,;.44,-1.01,;-3.72,-1.4,;-4.81,-.32,;-6.3,-.71,;-6.69,-2.2,;-5.6,-3.29,;-5.69,-4.83,;-4.25,-5.38,;-3.28,-4.18,;-4.12,-2.89,;-3.85,-6.87,;-4.94,-7.96,;-4.54,-9.44,;-3.05,-9.84,;-1.96,-8.75,;-2.36,-7.27,;-1.27,-6.18,;-7.02,-5.6,;-8.35,-4.83,;-9.69,-5.6,;-9.69,-7.14,;-11.02,-7.91,;-8.35,-7.91,;-7.02,-7.14,;1.92,.13,;2.32,-1.35,;3.81,-1.75,;4.9,-.66,;4.5,.83,;3.01,1.22,)|
Show InChI InChI=1S/C30H25Cl2N5O/c31-21-10-12-22(13-11-21)37-27(23-8-4-5-9-24(23)32)36-26-25(34-18-35-28(26)37)19-14-16-30(17-15-19,29(33)38)20-6-2-1-3-7-20/h1-13,18-19H,14-17H2,(H2,33,38)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.280n/an/an/an/an/an/an/an/a



Research Triangle Institute

US Patent


Assay Description
Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...


US Patent US9187480 (2015)


BindingDB Entry DOI: 10.7270/Q28051DS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383388
PNG
(CHEMBL2030738)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N1CCC(CC1)(C(N)=O)c1ccccc1
Show InChI InChI=1S/C29H25Cl3N4O2/c1-18-25(27(37)35-15-13-29(14-16-35,28(33)38)20-5-3-2-4-6-20)34-36(24-12-11-22(31)17-23(24)32)26(18)19-7-9-21(30)10-8-19/h2-12,17H,13-16H2,1H3,(H2,33,38)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50399518
PNG
(CHEMBL2180214)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NS(=O)(=O)c1ccccc1)-c1ccccc1Cl
Show InChI InChI=1S/C28H24Cl2N6O2S/c29-19-10-12-21(13-11-19)36-26(23-8-4-5-9-24(23)30)33-25-27(31-18-32-28(25)36)35-16-14-20(15-17-35)34-39(37,38)22-6-2-1-3-7-22/h1-13,18,20,34H,14-17H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 10022-32 (2012)


Article DOI: 10.1021/jm301181r
BindingDB Entry DOI: 10.7270/Q2GB256X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50399523
PNG
(CHEMBL2180205)
Show SMILES CC(C)(C)OC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H28Cl2N6O2/c1-27(2,3)37-26(36)32-18-12-14-34(15-13-18)24-22-25(31-16-30-24)35(19-10-8-17(28)9-11-19)23(33-22)20-6-4-5-7-21(20)29/h4-11,16,18H,12-15H2,1-3H3,(H,32,36)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 10022-32 (2012)


Article DOI: 10.1021/jm301181r
BindingDB Entry DOI: 10.7270/Q2GB256X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM192536
PNG
(US9187480, N-{1-[8-(2-chlorophenyl)-9-(4-chlorophe...)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)C1CCCC1)-c1ccccc1Cl
Show InChI InChI=1S/C28H28Cl2N6O/c29-19-9-11-21(12-10-19)36-25(22-7-3-4-8-23(22)30)34-24-26(31-17-32-27(24)36)35-15-13-20(14-16-35)33-28(37)18-5-1-2-6-18/h3-4,7-12,17-18,20H,1-2,5-6,13-16H2,(H,33,37)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.54n/an/an/an/an/an/an/an/a



Research Triangle Institute

US Patent


Assay Description
Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...


US Patent US9187480 (2015)


BindingDB Entry DOI: 10.7270/Q28051DS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50399534
PNG
(CHEMBL2180215)
Show SMILES NC(=O)C1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C29H24Cl2N6O/c30-20-10-12-21(13-11-20)37-25(22-8-4-5-9-23(22)31)35-24-26(33-18-34-27(24)37)36-16-14-29(15-17-36,28(32)38)19-6-2-1-3-7-19/h1-13,18H,14-17H2,(H2,32,38)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.79n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 10022-32 (2012)


Article DOI: 10.1021/jm301181r
BindingDB Entry DOI: 10.7270/Q2GB256X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM192521
PNG
(US9187480, 4-[8-(2-chlorophenyl)-9-(4-chlorophenyl...)
Show SMILES NC(=O)C1(CCC(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1 |(2.32,2.42,;.83,2.02,;-.25,3.11,;.44,.53,;-.9,1.3,;-2.23,.53,;-2.23,-1.01,;-.9,-1.78,;.44,-1.01,;-3.72,-1.4,;-4.81,-.32,;-6.3,-.71,;-6.69,-2.2,;-5.6,-3.29,;-5.69,-4.83,;-4.25,-5.38,;-3.28,-4.18,;-4.12,-2.89,;-3.85,-6.87,;-4.94,-7.96,;-4.54,-9.44,;-3.05,-9.84,;-1.96,-8.75,;-2.36,-7.27,;-1.27,-6.18,;-7.02,-5.6,;-8.35,-4.83,;-9.69,-5.6,;-9.69,-7.14,;-11.02,-7.91,;-8.35,-7.91,;-7.02,-7.14,;1.92,.13,;2.32,-1.35,;3.81,-1.75,;4.9,-.66,;4.5,.83,;3.01,1.22,)|
Show InChI InChI=1S/C30H25Cl2N5O/c31-21-10-12-22(13-11-21)37-27(23-8-4-5-9-24(23)32)36-26-25(34-18-35-28(26)37)19-14-16-30(17-15-19,29(33)38)20-6-2-1-3-7-20/h1-13,18-19H,14-17H2,(H2,33,38)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.79n/an/an/an/an/an/an/an/a



Research Triangle Institute

US Patent


Assay Description
Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...


US Patent US9187480 (2015)


BindingDB Entry DOI: 10.7270/Q28051DS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50144618
PNG
(CHEMBL3758534)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCN(CC1)C(=O)C(F)(F)F
Show InChI InChI=1S/C24H20Cl3F3N4O2/c1-13-20(22(35)31-17-8-10-33(11-9-17)23(36)24(28,29)30)32-34(19-7-6-16(26)12-18(19)27)21(13)14-2-4-15(25)5-3-14/h2-7,12,17H,8-11H2,1H3,(H,31,35)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
1.90n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 1063-70 (2016)


BindingDB Entry DOI: 10.7270/Q2GB25WW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM192534
PNG
(US9187480, N-{1-[8-(2-chlorophenyl)-9-(4-chlorophe...)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)CC1CCCCC1)-c1ccccc1Cl
Show InChI InChI=1S/C30H32Cl2N6O/c31-21-10-12-23(13-11-21)38-28(24-8-4-5-9-25(24)32)36-27-29(33-19-34-30(27)38)37-16-14-22(15-17-37)35-26(39)18-20-6-2-1-3-7-20/h4-5,8-13,19-20,22H,1-3,6-7,14-18H2,(H,35,39)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.93n/an/an/an/an/an/an/an/a



Research Triangle Institute

US Patent


Assay Description
Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...


US Patent US9187480 (2015)


BindingDB Entry DOI: 10.7270/Q28051DS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM192538
PNG
(US9187480, N-{1-[8-(2-chlorophenyl)-9-(4-chlorophe...)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)CC1CCCC1)-c1ccccc1Cl
Show InChI InChI=1S/C29H30Cl2N6O/c30-20-9-11-22(12-10-20)37-27(23-7-3-4-8-24(23)31)35-26-28(32-18-33-29(26)37)36-15-13-21(14-16-36)34-25(38)17-19-5-1-2-6-19/h3-4,7-12,18-19,21H,1-2,5-6,13-17H2,(H,34,38)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.02n/an/an/an/an/an/an/an/a



Research Triangle Institute

US Patent


Assay Description
Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...


US Patent US9187480 (2015)


BindingDB Entry DOI: 10.7270/Q28051DS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM192530
PNG
(US9187480, N-{1-[8-(2-chlorophenyl)-9-(4-chlorophe...)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)c1ccccc1)-c1ccccc1Cl
Show InChI InChI=1S/C29H24Cl2N6O/c30-20-10-12-22(13-11-20)37-26(23-8-4-5-9-24(23)31)35-25-27(32-18-33-28(25)37)36-16-14-21(15-17-36)34-29(38)19-6-2-1-3-7-19/h1-13,18,21H,14-17H2,(H,34,38)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.55n/an/an/an/an/an/an/an/a



Research Triangle Institute

US Patent


Assay Description
Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...


US Patent US9187480 (2015)


BindingDB Entry DOI: 10.7270/Q28051DS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM192537
PNG
(US9187480, N-{1-[8-(2-chlorophenyl)-9-(4-chlorophe...)
Show SMILES CC(C)CCC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H30Cl2N6O/c1-18(2)7-12-24(37)33-20-13-15-35(16-14-20)27-25-28(32-17-31-27)36(21-10-8-19(29)9-11-21)26(34-25)22-5-3-4-6-23(22)30/h3-6,8-11,17-18,20H,7,12-16H2,1-2H3,(H,33,37)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.67n/an/an/an/an/an/an/an/a



Research Triangle Institute

US Patent


Assay Description
Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...


US Patent US9187480 (2015)


BindingDB Entry DOI: 10.7270/Q28051DS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383402
PNG
(CHEMBL2030754)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C27H29Cl3N4O3/c1-16-23(25(35)31-20-11-13-33(14-12-20)26(36)37-27(2,3)4)32-34(22-10-9-19(29)15-21(22)30)24(16)17-5-7-18(28)8-6-17/h5-10,15,20H,11-14H2,1-4H3,(H,31,35)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.90n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM192532
PNG
(US9187480, N-{1-[8-(2-chlorophenyl)-9-(4-chlorophe...)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)C1CCCCC1)-c1ccccc1Cl
Show InChI InChI=1S/C29H30Cl2N6O/c30-20-10-12-22(13-11-20)37-26(23-8-4-5-9-24(23)31)35-25-27(32-18-33-28(25)37)36-16-14-21(15-17-36)34-29(38)19-6-2-1-3-7-19/h4-5,8-13,18-19,21H,1-3,6-7,14-17H2,(H,34,38)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.35n/an/an/an/an/an/an/an/a



Research Triangle Institute

US Patent


Assay Description
Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...


US Patent US9187480 (2015)


BindingDB Entry DOI: 10.7270/Q28051DS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383388
PNG
(CHEMBL2030738)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N1CCC(CC1)(C(N)=O)c1ccccc1
Show InChI InChI=1S/C29H25Cl3N4O2/c1-18-25(27(37)35-15-13-29(14-16-35,28(33)38)20-5-3-2-4-6-20)34-36(24-12-11-22(31)17-23(24)32)26(18)19-7-9-21(30)10-8-19/h2-12,17H,13-16H2,1H3,(H2,33,38)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.40n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383388
PNG
(CHEMBL2030738)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N1CCC(CC1)(C(N)=O)c1ccccc1
Show InChI InChI=1S/C29H25Cl3N4O2/c1-18-25(27(37)35-15-13-29(14-16-35,28(33)38)20-5-3-2-4-6-20)34-36(24-12-11-22(31)17-23(24)32)26(18)19-7-9-21(30)10-8-19/h2-12,17H,13-16H2,1H3,(H2,33,38)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.44n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 10022-32 (2012)


Article DOI: 10.1021/jm301181r
BindingDB Entry DOI: 10.7270/Q2GB256X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM192529
PNG
(US9187480, ethyl N-{1-[8-(2-chlorophenyl)-9-(4-chl...)
Show SMILES CCOC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24Cl2N6O2/c1-2-35-25(34)30-17-11-13-32(14-12-17)23-21-24(29-15-28-23)33(18-9-7-16(26)8-10-18)22(31-21)19-5-3-4-6-20(19)27/h3-10,15,17H,2,11-14H2,1H3,(H,30,34)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.57n/an/an/an/an/an/an/an/a



Research Triangle Institute

US Patent


Assay Description
Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...


US Patent US9187480 (2015)


BindingDB Entry DOI: 10.7270/Q28051DS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM192535
PNG
(US9187480, N-{1-[8-(2-chlorophenyl)-9-(4-chlorophe...)
Show SMILES CC(C)CC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H28Cl2N6O/c1-17(2)15-23(36)32-19-11-13-34(14-12-19)26-24-27(31-16-30-26)35(20-9-7-18(28)8-10-20)25(33-24)21-5-3-4-6-22(21)29/h3-10,16-17,19H,11-15H2,1-2H3,(H,32,36)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
4.01n/an/an/an/an/an/an/an/a



Research Triangle Institute

US Patent


Assay Description
Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...


US Patent US9187480 (2015)


BindingDB Entry DOI: 10.7270/Q28051DS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM192528
PNG
(US9187480, N-tert-butyl-1-[8-(2-chlorophenyl)-9-(4...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C33H32Cl2N6O/c1-32(2,3)39-31(42)33(22-9-5-4-6-10-22)17-19-40(20-18-33)29-27-30(37-21-36-29)41(24-15-13-23(34)14-16-24)28(38-27)25-11-7-8-12-26(25)35/h4-16,21H,17-20H2,1-3H3,(H,39,42)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
4.08n/an/an/an/an/an/an/an/a



Research Triangle Institute

US Patent


Assay Description
Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...


US Patent US9187480 (2015)


BindingDB Entry DOI: 10.7270/Q28051DS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM192527
PNG
(US9187480, N-{1-[8-(2-chlorophenyl)-9-(4-chlorophe...)
Show SMILES CC(=O)NC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C30H26Cl2N6O/c1-20(39)36-30(21-7-3-2-4-8-21)15-17-37(18-16-30)28-26-29(34-19-33-28)38(23-13-11-22(31)12-14-23)27(35-26)24-9-5-6-10-25(24)32/h2-14,19H,15-18H2,1H3,(H,36,39)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
6n/an/an/an/an/an/an/an/a



Research Triangle Institute

US Patent


Assay Description
Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...


US Patent US9187480 (2015)


BindingDB Entry DOI: 10.7270/Q28051DS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM192531
PNG
(US9187480, 8-(2-chlorophenyl)-9-(4-chlorophenyl)-6...)
Show SMILES FC(F)(F)S(=O)(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H19Cl2F3N6O2S/c24-14-5-7-16(8-6-14)34-20(17-3-1-2-4-18(17)25)31-19-21(29-13-30-22(19)34)33-11-9-15(10-12-33)32-37(35,36)23(26,27)28/h1-8,13,15,32H,9-12H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
6.10n/an/an/an/an/an/an/an/a



Research Triangle Institute

US Patent


Assay Description
Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...


US Patent US9187480 (2015)


BindingDB Entry DOI: 10.7270/Q28051DS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50399531
PNG
(CHEMBL2180218)
Show SMILES CS(=O)(=O)NC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C29H26Cl2N6O2S/c1-40(38,39)35-29(20-7-3-2-4-8-20)15-17-36(18-16-29)27-25-28(33-19-32-27)37(22-13-11-21(30)12-14-22)26(34-25)23-9-5-6-10-24(23)31/h2-14,19,35H,15-18H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.20n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 10022-32 (2012)


Article DOI: 10.1021/jm301181r
BindingDB Entry DOI: 10.7270/Q2GB256X
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)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

DrugBank
Article
PubMed
6.20n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
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)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

DrugBank
PubMed
6.20n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 1063-70 (2016)


BindingDB Entry DOI: 10.7270/Q2GB25WW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM192526
PNG
(US9187480, N-{4-[8-(2-chlorophenyl)-9-(4-chlorophe...)
Show SMILES CS(=O)(=O)NC1(CCC(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1 |(3.5,1.51,;2.17,2.28,;2.94,3.62,;1.4,3.62,;.83,1.51,;.44,.03,;-.9,.8,;-2.23,.03,;-2.23,-1.51,;-.9,-2.28,;.44,-1.51,;-3.56,-2.28,;-4.9,-1.51,;-6.23,-2.28,;-6.23,-3.82,;-4.9,-4.59,;-4.58,-6.1,;-3.05,-6.26,;-2.42,-4.85,;-3.56,-3.82,;-2.28,-7.59,;-3.05,-8.93,;-2.28,-10.26,;-.74,-10.26,;.03,-8.93,;-.74,-7.59,;.03,-6.26,;-5.67,-7.19,;-7.15,-6.79,;-8.24,-7.88,;-7.85,-9.37,;-8.93,-10.46,;-6.36,-9.77,;-5.27,-8.68,;1.92,-.37,;2.32,-1.86,;3.81,-2.26,;4.9,-1.17,;4.5,.32,;3.01,.72,)|
Show InChI InChI=1S/C30H27Cl2N5O2S/c1-40(38,39)36-30(21-7-3-2-4-8-21)17-15-20(16-18-30)26-27-29(34-19-33-26)37(23-13-11-22(31)12-14-23)28(35-27)24-9-5-6-10-25(24)32/h2-14,19-20,36H,15-18H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
6.21n/an/an/an/an/an/an/an/a



Research Triangle Institute

US Patent


Assay Description
Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...


US Patent US9187480 (2015)


BindingDB Entry DOI: 10.7270/Q28051DS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50144619
PNG
(CHEMBL3759785)
Show SMILES CC(C)OC(=O)N1CCC(CC1)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H27Cl3N4O3/c1-15(2)36-26(35)32-12-10-20(11-13-32)30-25(34)23-16(3)24(17-4-6-18(27)7-5-17)33(31-23)22-9-8-19(28)14-21(22)29/h4-9,14-15,20H,10-13H2,1-3H3,(H,30,34)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
6.40n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 1063-70 (2016)


BindingDB Entry DOI: 10.7270/Q2GB25WW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50399533
PNG
(CHEMBL2180216 | US9187480, tert-butyl N-{1-[8-(2-c...)
Show SMILES CC(C)(C)OC(=O)NC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C33H32Cl2N6O2/c1-32(2,3)43-31(42)39-33(22-9-5-4-6-10-22)17-19-40(20-18-33)29-27-30(37-21-36-29)41(24-15-13-23(34)14-16-24)28(38-27)25-11-7-8-12-26(25)35/h4-16,21H,17-20H2,1-3H3,(H,39,42)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.10n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 10022-32 (2012)


Article DOI: 10.1021/jm301181r
BindingDB Entry DOI: 10.7270/Q2GB256X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50399533
PNG
(CHEMBL2180216 | US9187480, tert-butyl N-{1-[8-(2-c...)
Show SMILES CC(C)(C)OC(=O)NC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C33H32Cl2N6O2/c1-32(2,3)43-31(42)39-33(22-9-5-4-6-10-22)17-19-40(20-18-33)29-27-30(37-21-36-29)41(24-15-13-23(34)14-16-24)28(38-27)25-11-7-8-12-26(25)35/h4-16,21H,17-20H2,1-3H3,(H,39,42)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
7.12n/an/an/an/an/an/an/an/a



Research Triangle Institute

US Patent


Assay Description
Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...


US Patent US9187480 (2015)


BindingDB Entry DOI: 10.7270/Q28051DS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383386
PNG
(CHEMBL2029362)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N1CCC(CC1)(NS(C)(=O)=O)c1ccccc1
Show InChI InChI=1S/C29H27Cl3N4O3S/c1-19-26(28(37)35-16-14-29(15-17-35,34-40(2,38)39)21-6-4-3-5-7-21)33-36(25-13-12-23(31)18-24(25)32)27(19)20-8-10-22(30)11-9-20/h3-13,18,34H,14-17H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.30n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50144614
PNG
(CHEMBL3758884)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H25Cl3N4O2/c1-18-26(28(37)33-23-13-15-35(16-14-23)29(38)20-5-3-2-4-6-20)34-36(25-12-11-22(31)17-24(25)32)27(18)19-7-9-21(30)10-8-19/h2-12,17,23H,13-16H2,1H3,(H,33,37)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
7.5n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 1063-70 (2016)


BindingDB Entry DOI: 10.7270/Q2GB25WW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383399
PNG
(CHEMBL2030751)
Show SMILES CCCNC(=O)NC1(CCN(CC1)C(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)c1ccccc1
Show InChI InChI=1S/C32H32Cl3N5O2/c1-3-17-36-31(42)37-32(23-7-5-4-6-8-23)15-18-39(19-16-32)30(41)28-21(2)29(22-9-11-24(33)12-10-22)40(38-28)27-14-13-25(34)20-26(27)35/h4-14,20H,3,15-19H2,1-2H3,(H2,36,37,42)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.60n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354809
PNG
(CHEMBL1834021)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CC[C@@H](CNS(C)(=O)=O)CC1 |r,wU:25.27,28.31,(5.54,-42.18,;6.45,-43.42,;7.99,-43.41,;8.47,-44.88,;7.23,-45.79,;5.98,-44.89,;4.6,-45.57,;3.26,-44.81,;1.94,-45.6,;1.95,-47.14,;.63,-47.92,;3.31,-47.89,;4.62,-47.1,;7.24,-47.33,;5.91,-48.11,;5.91,-49.65,;7.24,-50.42,;7.24,-51.96,;8.58,-49.65,;8.57,-48.1,;9.9,-47.32,;8.75,-42.08,;7.97,-40.75,;10.29,-42.06,;11.07,-43.39,;12.61,-43.38,;13.36,-42.04,;14.91,-42.03,;15.68,-43.37,;17.22,-43.36,;17.99,-42.03,;19.53,-42.02,;20.29,-40.69,;19.51,-43.56,;21.06,-42.02,;14.91,-44.7,;13.38,-44.71,)|
Show InChI InChI=1S/C26H29Cl3N4O3S/c1-16-24(26(34)30-14-17-3-5-18(6-4-17)15-31-37(2,35)36)32-33(23-12-11-21(28)13-22(23)29)25(16)19-7-9-20(27)10-8-19/h7-13,17-18,31H,3-6,14-15H2,1-2H3,(H,30,34)/t17-,18+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
BindingDB Entry DOI: 10.7270/Q2V988HJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50144609
PNG
(CHEMBL3759222)
Show SMILES CCCOC(=O)N1CCC(CC1)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H27Cl3N4O3/c1-3-14-36-26(35)32-12-10-20(11-13-32)30-25(34)23-16(2)24(17-4-6-18(27)7-5-17)33(31-23)22-9-8-19(28)15-21(22)29/h4-9,15,20H,3,10-14H2,1-2H3,(H,30,34)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
8.80n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 1063-70 (2016)


BindingDB Entry DOI: 10.7270/Q2GB25WW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383387
PNG
(CHEMBL2030765)
Show SMILES CCOC(=O)N1CCC(CC1)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H25Cl3N4O3/c1-3-35-25(34)31-12-10-19(11-13-31)29-24(33)22-15(2)23(16-4-6-17(26)7-5-16)32(30-22)21-9-8-18(27)14-20(21)28/h4-9,14,19H,3,10-13H2,1-2H3,(H,29,33)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.20n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50144615
PNG
(CHEMBL3759255)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCN(CC1)C(=O)C1CCCC1
Show InChI InChI=1S/C28H29Cl3N4O2/c1-17-25(27(36)32-22-12-14-34(15-13-22)28(37)19-4-2-3-5-19)33-35(24-11-10-21(30)16-23(24)31)26(17)18-6-8-20(29)9-7-18/h6-11,16,19,22H,2-5,12-15H2,1H3,(H,32,36)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
9.20n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 1063-70 (2016)


BindingDB Entry DOI: 10.7270/Q2GB25WW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50144612
PNG
(CHEMBL3759254)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCN(CC1)S(=O)(=O)CCC(F)(F)F
Show InChI InChI=1S/C25H24Cl3F3N4O3S/c1-15-22(24(36)32-19-8-11-34(12-9-19)39(37,38)13-10-25(29,30)31)33-35(21-7-6-18(27)14-20(21)28)23(15)16-2-4-17(26)5-3-16/h2-7,14,19H,8-13H2,1H3,(H,32,36)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
9.60n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 1063-70 (2016)


BindingDB Entry DOI: 10.7270/Q2GB25WW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50399532
PNG
(CHEMBL2180217)
Show SMILES NC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C28H24Cl2N6/c29-20-10-12-21(13-11-20)36-25(22-8-4-5-9-23(22)30)34-24-26(32-18-33-27(24)36)35-16-14-28(31,15-17-35)19-6-2-1-3-7-19/h1-13,18H,14-17,31H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
11n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 10022-32 (2012)


Article DOI: 10.1021/jm301181r
BindingDB Entry DOI: 10.7270/Q2GB256X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354809
PNG
(CHEMBL1834021)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CC[C@@H](CNS(C)(=O)=O)CC1 |r,wU:25.27,28.31,(5.54,-42.18,;6.45,-43.42,;7.99,-43.41,;8.47,-44.88,;7.23,-45.79,;5.98,-44.89,;4.6,-45.57,;3.26,-44.81,;1.94,-45.6,;1.95,-47.14,;.63,-47.92,;3.31,-47.89,;4.62,-47.1,;7.24,-47.33,;5.91,-48.11,;5.91,-49.65,;7.24,-50.42,;7.24,-51.96,;8.58,-49.65,;8.57,-48.1,;9.9,-47.32,;8.75,-42.08,;7.97,-40.75,;10.29,-42.06,;11.07,-43.39,;12.61,-43.38,;13.36,-42.04,;14.91,-42.03,;15.68,-43.37,;17.22,-43.36,;17.99,-42.03,;19.53,-42.02,;20.29,-40.69,;19.51,-43.56,;21.06,-42.02,;14.91,-44.7,;13.38,-44.71,)|
Show InChI InChI=1S/C26H29Cl3N4O3S/c1-16-24(26(34)30-14-17-3-5-18(6-4-17)15-31-37(2,35)36)32-33(23-12-11-21(28)13-22(23)29)25(16)19-7-9-20(27)10-8-19/h7-13,17-18,31H,3-6,14-15H2,1-2H3,(H,30,34)/t17-,18+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
11n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
BindingDB Entry DOI: 10.7270/Q2V988HJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM192525
PNG
(US9187480, 4-[8-(2-chlorophenyl)-9-(4-chlorophenyl...)
Show SMILES NC1(CCC(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1 |(.83,2.57,;.44,1.08,;-.9,1.85,;-2.23,1.08,;-2.23,-.46,;-.9,-1.23,;.44,-.46,;-3.56,-1.23,;-4.9,-.46,;-6.23,-1.23,;-6.23,-2.77,;-4.9,-3.54,;-4.58,-5.05,;-3.05,-5.21,;-2.42,-3.8,;-3.56,-2.77,;-2.28,-6.54,;-3.05,-7.88,;-2.28,-9.21,;-.74,-9.21,;.03,-7.88,;-.74,-6.54,;.03,-5.21,;-5.67,-6.14,;-7.15,-5.74,;-8.24,-6.83,;-7.85,-8.32,;-8.93,-9.4,;-6.36,-8.71,;-5.27,-7.62,;1.92,.68,;2.32,-.81,;3.81,-1.21,;4.9,-.12,;4.5,1.37,;3.01,1.77,)|
Show InChI InChI=1S/C29H25Cl2N5/c30-21-10-12-22(13-11-21)36-27(23-8-4-5-9-24(23)31)35-26-25(33-18-34-28(26)36)19-14-16-29(32,17-15-19)20-6-2-1-3-7-20/h1-13,18-19H,14-17,32H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
11n/an/an/an/an/an/an/an/a



Research Triangle Institute

US Patent


Assay Description
Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...


US Patent US9187480 (2015)


BindingDB Entry DOI: 10.7270/Q28051DS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383413
PNG
(CHEMBL2030933)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCCN(C1)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H23Cl3N4O3S/c1-14-21(23(31)27-18-4-3-11-29(13-18)34(2,32)33)28-30(20-10-9-17(25)12-19(20)26)22(14)15-5-7-16(24)8-6-15/h5-10,12,18H,3-4,11,13H2,1-2H3,(H,27,31)/t18-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
11.8n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50140231
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccncc1
Show InChI InChI=1S/C22H15Cl3N4O/c1-13-20(22(30)27-17-8-10-26-11-9-17)28-29(19-7-6-16(24)12-18(19)25)21(13)14-2-4-15(23)5-3-14/h2-12H,1H3,(H,26,27,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
13n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
BindingDB Entry DOI: 10.7270/Q2V988HJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383397
PNG
(CHEMBL2030749)
Show SMILES CC(C)NC(=O)NC1(CCN(CC1)C(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)c1ccccc1
Show InChI InChI=1S/C32H32Cl3N5O2/c1-20(2)36-31(42)37-32(23-7-5-4-6-8-23)15-17-39(18-16-32)30(41)28-21(3)29(22-9-11-24(33)12-10-22)40(38-28)27-14-13-25(34)19-26(27)35/h4-14,19-20H,15-18H2,1-3H3,(H2,36,37,42)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
13.5n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50399522
PNG
(CHEMBL2180207)
Show SMILES CC(C)NC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H27Cl2N7O/c1-16(2)31-26(36)32-18-11-13-34(14-12-18)24-22-25(30-15-29-24)35(19-9-7-17(27)8-10-19)23(33-22)20-5-3-4-6-21(20)28/h3-10,15-16,18H,11-14H2,1-2H3,(H2,31,32,36)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
14n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 10022-32 (2012)


Article DOI: 10.1021/jm301181r
BindingDB Entry DOI: 10.7270/Q2GB256X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383404
PNG
(CHEMBL2030759)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCN(CC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C27H30Cl3N5O2/c1-16-23(25(36)31-20-11-13-34(14-12-20)26(37)32-27(2,3)4)33-35(22-10-9-19(29)15-21(22)30)24(16)17-5-7-18(28)8-6-17/h5-10,15,20H,11-14H2,1-4H3,(H,31,36)(H,32,37)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
14.7n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50144617
PNG
(CHEMBL3759440)
Show SMILES CCCCC(=O)N1CCC(CC1)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C27H29Cl3N4O2/c1-3-4-5-24(35)33-14-12-21(13-15-33)31-27(36)25-17(2)26(18-6-8-19(28)9-7-18)34(32-25)23-11-10-20(29)16-22(23)30/h6-11,16,21H,3-5,12-15H2,1-2H3,(H,31,36)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
15n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes


Bioorg Med Chem 24: 1063-70 (2016)


BindingDB Entry DOI: 10.7270/Q2GB25WW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50354807
PNG
(CHEMBL1834277)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CC[C@@H](CNS(N)(=O)=O)CC1 |r,wU:25.27,28.31,(28.13,-41.38,;29.03,-42.62,;30.58,-42.61,;31.05,-44.08,;29.82,-44.99,;28.56,-44.08,;27.19,-44.77,;25.85,-44.01,;24.52,-44.8,;24.54,-46.34,;23.22,-47.12,;25.89,-47.09,;27.21,-46.3,;29.82,-46.53,;28.5,-47.3,;28.49,-48.85,;29.83,-49.62,;29.83,-51.16,;31.16,-48.85,;31.16,-47.3,;32.49,-46.52,;31.34,-41.27,;30.56,-39.95,;32.88,-41.26,;33.66,-42.59,;35.2,-42.58,;35.95,-41.24,;37.49,-41.23,;38.27,-42.57,;39.81,-42.56,;40.58,-41.22,;42.12,-41.22,;42.88,-39.88,;42.1,-42.75,;43.65,-41.21,;37.5,-43.9,;35.97,-43.91,)|
Show InChI InChI=1S/C25H28Cl3N5O3S/c1-15-23(25(34)30-13-16-2-4-17(5-3-16)14-31-37(29,35)36)32-33(22-11-10-20(27)12-21(22)28)24(15)18-6-8-19(26)9-7-18/h6-12,16-17,31H,2-5,13-14H2,1H3,(H,30,34)(H2,29,35,36)/t16-,17+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
15n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
BindingDB Entry DOI: 10.7270/Q2V988HJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383398
PNG
(CHEMBL2030750)
Show SMILES CCNC(=O)NC1(CCN(CC1)C(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)c1ccccc1
Show InChI InChI=1S/C31H30Cl3N5O2/c1-3-35-30(41)36-31(22-7-5-4-6-8-22)15-17-38(18-16-31)29(40)27-20(2)28(21-9-11-23(32)12-10-21)39(37-27)26-14-13-24(33)19-25(26)34/h4-14,19H,3,15-18H2,1-2H3,(H2,35,36,41)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
15n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383401
PNG
(CHEMBL2030753)
Show SMILES CCCCNC(=O)NC1(CCN(CC1)C(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)c1ccccc1
Show InChI InChI=1S/C33H34Cl3N5O2/c1-3-4-18-37-32(43)38-33(24-8-6-5-7-9-24)16-19-40(20-17-33)31(42)29-22(2)30(23-10-12-25(34)13-11-23)41(39-29)28-15-14-26(35)21-27(28)36/h5-15,21H,3-4,16-20H2,1-2H3,(H2,37,38,43)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
15.5n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM192524
PNG
(US9187480, 4-[8-(2-chlorophenyl)-9-(4-chlorophenyl...)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCS(=O)(=O)CC1)-c1ccccc1Cl
Show InChI InChI=1S/C21H17Cl2N5O2S/c22-14-5-7-15(8-6-14)28-19(16-3-1-2-4-17(16)23)26-18-20(24-13-25-21(18)28)27-9-11-31(29,30)12-10-27/h1-8,13H,9-12H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
16.8n/an/an/an/an/an/an/an/a



Research Triangle Institute

US Patent


Assay Description
Further characterization of select compounds was performed using radioligand displacement of [3H]1 and equilibrium dissociation constant (Ki) values ...


US Patent US9187480 (2015)


BindingDB Entry DOI: 10.7270/Q28051DS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383417
PNG
(CHEMBL2030939)
Show SMILES CCOC(=O)N1CCC[C@H](C1)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C25H25Cl3N4O3/c1-3-35-25(34)31-12-4-5-19(14-31)29-24(33)22-15(2)23(16-6-8-17(26)9-7-16)32(30-22)21-11-10-18(27)13-20(21)28/h6-11,13,19H,3-5,12,14H2,1-2H3,(H,29,33)/t19-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
17.5n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 211 total )  |  Next  |  Last  >>
Jump to: