BindingDB logo
myBDB logout

PubMed code 21996466

Compile data set for download or QSAR
Found 40 hits of Enzyme Inhibition Constant Data   
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 2


(Homo sapiens (Human))
BDBM50356552
PNG
(CHEMBL1909860)
Show SMILES CCc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H24Cl2N4O/c1-2-17-20(21(29)25-15-8-4-3-5-9-15)26-28(22(17)27-12-6-7-13-27)16-10-11-18(23)19(24)14-16/h6-7,10-15H,2-5,8-9H2,1H3,(H,25,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.510n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50356548
PNG
(CHEMBL1909856)
Show SMILES Cc1c(nn(c1-n1cccc1Cl)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1 |(9.73,-1.52,;10.63,-2.77,;12.17,-2.77,;12.64,-4.23,;11.4,-5.13,;10.15,-4.23,;8.68,-4.68,;8.18,-6.13,;6.64,-6.11,;6.19,-4.64,;7.45,-3.75,;7.47,-2.21,;11.39,-6.67,;10.05,-7.44,;10.05,-8.97,;11.38,-9.75,;11.38,-11.29,;12.72,-8.97,;14.06,-9.74,;12.72,-7.43,;13.07,-1.52,;12.45,-.12,;14.61,-1.69,;15.51,-.44,;17.05,-.61,;17.96,.62,;17.34,2.03,;15.81,2.2,;14.89,.96,)|
Show InChI InChI=1S/C21H21Cl3N4O/c1-13-19(20(29)25-14-6-3-2-4-7-14)26-28(15-9-10-16(22)17(23)12-15)21(13)27-11-5-8-18(27)24/h5,8-12,14H,2-4,6-7H2,1H3,(H,25,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50356550
PNG
(CHEMBL1909858)
Show SMILES Cc1c(nn(c1-n1c(Cl)ccc1Cl)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1 |(33.16,-36.05,;34.06,-37.29,;35.6,-37.3,;36.07,-38.76,;34.82,-39.66,;33.58,-38.75,;32.11,-39.21,;30.88,-38.28,;30.9,-36.74,;29.62,-39.16,;30.07,-40.64,;31.61,-40.66,;32.5,-41.92,;34.82,-41.2,;33.48,-41.96,;33.48,-43.5,;34.81,-44.27,;34.81,-45.81,;36.15,-43.5,;37.49,-44.27,;36.15,-41.96,;36.5,-36.05,;35.88,-34.64,;38.03,-36.21,;38.94,-34.97,;40.47,-35.14,;41.38,-33.9,;40.76,-32.49,;39.22,-32.32,;38.31,-33.57,)|
Show InChI InChI=1S/C21H20Cl4N4O/c1-12-19(20(30)26-13-5-3-2-4-6-13)27-29(14-7-8-15(22)16(23)11-14)21(12)28-17(24)9-10-18(28)25/h7-11,13H,2-6H2,1H3,(H,26,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50356554
PNG
(CHEMBL1909957)
Show SMILES CCc1c(nn(c1-n1c(C)ccc1C)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1 |(34.91,5.92,;34.28,4.51,;35.19,3.27,;36.72,3.27,;37.2,1.8,;35.95,.9,;34.71,1.81,;33.24,1.35,;32,2.28,;32.03,3.82,;30.75,1.4,;31.2,-.08,;32.74,-.1,;33.22,-1.53,;35.95,-.63,;34.61,-1.4,;34.61,-2.94,;35.94,-3.71,;35.94,-5.25,;37.28,-2.94,;38.62,-3.7,;37.28,-1.4,;37.63,4.51,;37.01,5.92,;39.16,4.35,;40.07,5.59,;41.6,5.42,;42.5,6.66,;41.89,8.08,;40.35,8.25,;39.43,6.99,)|
Show InChI InChI=1S/C24H28Cl2N4O/c1-4-19-22(23(31)27-17-8-6-5-7-9-17)28-30(18-12-13-20(25)21(26)14-18)24(19)29-15(2)10-11-16(29)3/h10-14,17H,4-9H2,1-3H3,(H,27,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356540
PNG
(CHEMBL1909848)
Show SMILES Cc1c(nn(c1-n1cc2CCCCc2c1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C25H28Cl2N4O/c1-16-23(24(32)28-20-9-3-2-4-10-20)29-31(22-12-11-19(26)13-21(22)27)25(16)30-14-17-7-5-6-8-18(17)15-30/h11-15,20H,2-10H2,1H3,(H,28,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.30n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356542
PNG
(CHEMBL1909850)
Show SMILES CCc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H24Cl2N4O/c1-2-17-20(21(29)25-16-8-4-3-5-9-16)26-28(22(17)27-12-6-7-13-27)19-11-10-15(23)14-18(19)24/h6-7,10-14,16H,2-5,8-9H2,1H3,(H,25,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356550
PNG
(CHEMBL1909858)
Show SMILES Cc1c(nn(c1-n1c(Cl)ccc1Cl)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1 |(33.16,-36.05,;34.06,-37.29,;35.6,-37.3,;36.07,-38.76,;34.82,-39.66,;33.58,-38.75,;32.11,-39.21,;30.88,-38.28,;30.9,-36.74,;29.62,-39.16,;30.07,-40.64,;31.61,-40.66,;32.5,-41.92,;34.82,-41.2,;33.48,-41.96,;33.48,-43.5,;34.81,-44.27,;34.81,-45.81,;36.15,-43.5,;37.49,-44.27,;36.15,-41.96,;36.5,-36.05,;35.88,-34.64,;38.03,-36.21,;38.94,-34.97,;40.47,-35.14,;41.38,-33.9,;40.76,-32.49,;39.22,-32.32,;38.31,-33.57,)|
Show InChI InChI=1S/C21H20Cl4N4O/c1-12-19(20(30)26-13-5-3-2-4-6-13)27-29(14-7-8-15(22)16(23)11-14)21(12)28-17(24)9-10-18(28)25/h7-11,13H,2-6H2,1H3,(H,26,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.60n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356544
PNG
(CHEMBL1909852)
Show SMILES CCc1c(nn(c1-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 |(7.94,-21.87,;7.31,-23.28,;8.21,-24.52,;9.75,-24.52,;10.22,-25.99,;8.98,-26.89,;7.74,-25.98,;6.27,-26.44,;5.03,-25.51,;5.06,-23.97,;3.77,-26.39,;4.23,-27.87,;5.77,-27.89,;6.24,-29.32,;8.98,-28.42,;7.64,-29.19,;7.63,-30.73,;8.97,-31.5,;8.97,-33.04,;10.31,-30.73,;10.3,-29.19,;11.64,-28.42,;10.66,-23.28,;10.03,-21.87,;12.19,-23.44,;13.1,-22.2,;14.63,-22.37,;15.53,-21.13,;14.92,-19.72,;13.38,-19.56,;12.47,-20.8,)|
Show InChI InChI=1S/C24H28Cl2N4O/c1-4-19-22(23(31)27-18-8-6-5-7-9-18)28-30(21-13-12-17(25)14-20(21)26)24(19)29-15(2)10-11-16(29)3/h10-14,18H,4-9H2,1-3H3,(H,27,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.70n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356536
PNG
(CHEMBL1909844)
Show SMILES Cc1c(nn(c1-n1cccc1Cl)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 |(7.22,3.84,;8.12,2.59,;9.66,2.59,;10.13,1.13,;8.89,.23,;7.64,1.13,;6.18,.66,;5.7,-.8,;4.16,-.8,;3.68,.67,;4.93,1.57,;4.94,3.11,;8.88,-1.31,;7.54,-2.08,;7.54,-3.62,;8.87,-4.39,;8.87,-5.93,;10.21,-3.61,;10.21,-2.08,;11.54,-1.31,;10.56,3.83,;9.94,5.24,;12.1,3.67,;13,4.92,;14.54,4.74,;15.45,5.98,;14.83,7.39,;13.3,7.56,;12.38,6.31,)|
Show InChI InChI=1S/C21H21Cl3N4O/c1-13-19(20(29)25-15-6-3-2-4-7-15)26-28(17-10-9-14(22)12-16(17)23)21(13)27-11-5-8-18(27)24/h5,8-12,15H,2-4,6-7H2,1H3,(H,25,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.70n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356548
PNG
(CHEMBL1909856)
Show SMILES Cc1c(nn(c1-n1cccc1Cl)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1 |(9.73,-1.52,;10.63,-2.77,;12.17,-2.77,;12.64,-4.23,;11.4,-5.13,;10.15,-4.23,;8.68,-4.68,;8.18,-6.13,;6.64,-6.11,;6.19,-4.64,;7.45,-3.75,;7.47,-2.21,;11.39,-6.67,;10.05,-7.44,;10.05,-8.97,;11.38,-9.75,;11.38,-11.29,;12.72,-8.97,;14.06,-9.74,;12.72,-7.43,;13.07,-1.52,;12.45,-.12,;14.61,-1.69,;15.51,-.44,;17.05,-.61,;17.96,.62,;17.34,2.03,;15.81,2.2,;14.89,.96,)|
Show InChI InChI=1S/C21H21Cl3N4O/c1-13-19(20(29)25-14-6-3-2-4-7-14)26-28(15-9-10-16(22)17(23)12-15)21(13)27-11-5-8-18(27)24/h5,8-12,14H,2-4,6-7H2,1H3,(H,25,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.60n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356538
PNG
(CHEMBL1909846)
Show SMILES Cc1c(nn(c1-n1c(Cl)ccc1Cl)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 |(32.56,3.95,;33.46,2.71,;35,2.71,;35.47,1.24,;34.23,.34,;32.98,1.25,;31.52,.77,;30.27,1.69,;30.28,3.23,;29.02,.78,;29.5,-.68,;31.04,-.68,;31.94,-1.93,;34.22,-1.19,;32.88,-1.96,;32.88,-3.5,;34.21,-4.27,;34.21,-5.81,;35.55,-3.5,;35.55,-1.96,;36.88,-1.19,;35.9,3.95,;35.28,5.36,;37.44,3.79,;38.34,5.03,;39.88,4.86,;40.79,6.09,;40.17,7.52,;38.64,7.68,;37.72,6.43,)|
Show InChI InChI=1S/C21H20Cl4N4O/c1-12-19(20(30)26-14-5-3-2-4-6-14)27-29(16-8-7-13(22)11-15(16)23)21(12)28-17(24)9-10-18(28)25/h7-11,14H,2-6H2,1H3,(H,26,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.40n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356552
PNG
(CHEMBL1909860)
Show SMILES CCc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H24Cl2N4O/c1-2-17-20(21(29)25-15-8-4-3-5-9-15)26-28(22(17)27-12-6-7-13-27)16-10-11-18(23)19(24)14-16/h6-7,10-15H,2-5,8-9H2,1H3,(H,25,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
15.3n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50356542
PNG
(CHEMBL1909850)
Show SMILES CCc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H24Cl2N4O/c1-2-17-20(21(29)25-16-8-4-3-5-9-16)26-28(22(17)27-12-6-7-13-27)19-11-10-15(23)14-18(19)24/h6-7,10-14,16H,2-5,8-9H2,1H3,(H,25,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
15.8n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50356536
PNG
(CHEMBL1909844)
Show SMILES Cc1c(nn(c1-n1cccc1Cl)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 |(7.22,3.84,;8.12,2.59,;9.66,2.59,;10.13,1.13,;8.89,.23,;7.64,1.13,;6.18,.66,;5.7,-.8,;4.16,-.8,;3.68,.67,;4.93,1.57,;4.94,3.11,;8.88,-1.31,;7.54,-2.08,;7.54,-3.62,;8.87,-4.39,;8.87,-5.93,;10.21,-3.61,;10.21,-2.08,;11.54,-1.31,;10.56,3.83,;9.94,5.24,;12.1,3.67,;13,4.92,;14.54,4.74,;15.45,5.98,;14.83,7.39,;13.3,7.56,;12.38,6.31,)|
Show InChI InChI=1S/C21H21Cl3N4O/c1-13-19(20(29)25-15-6-3-2-4-7-15)26-28(17-10-9-14(22)12-16(17)23)21(13)27-11-5-8-18(27)24/h5,8-12,15H,2-4,6-7H2,1H3,(H,25,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
18.3n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50356538
PNG
(CHEMBL1909846)
Show SMILES Cc1c(nn(c1-n1c(Cl)ccc1Cl)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 |(32.56,3.95,;33.46,2.71,;35,2.71,;35.47,1.24,;34.23,.34,;32.98,1.25,;31.52,.77,;30.27,1.69,;30.28,3.23,;29.02,.78,;29.5,-.68,;31.04,-.68,;31.94,-1.93,;34.22,-1.19,;32.88,-1.96,;32.88,-3.5,;34.21,-4.27,;34.21,-5.81,;35.55,-3.5,;35.55,-1.96,;36.88,-1.19,;35.9,3.95,;35.28,5.36,;37.44,3.79,;38.34,5.03,;39.88,4.86,;40.79,6.09,;40.17,7.52,;38.64,7.68,;37.72,6.43,)|
Show InChI InChI=1S/C21H20Cl4N4O/c1-12-19(20(30)26-14-5-3-2-4-6-14)27-29(16-8-7-13(22)11-15(16)23)21(12)28-17(24)9-10-18(28)25/h7-11,14H,2-6H2,1H3,(H,26,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
19.1n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356535
PNG
(CHEMBL1909843)
Show SMILES Cc1c(nn(c1-n1cccc1Cl)-c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1 |(-6.88,4,;-5.97,2.75,;-4.44,2.75,;-3.96,1.29,;-5.21,.39,;-6.45,1.29,;-7.91,.82,;-8.39,-.64,;-9.93,-.64,;-10.41,.83,;-9.16,1.73,;-9.16,3.27,;-5.21,-1.15,;-6.55,-1.91,;-6.55,-3.45,;-5.22,-4.23,;-5.22,-5.77,;-3.88,-3.45,;-3.88,-1.91,;-2.55,-1.14,;-3.53,4,;-4.15,5.4,;-2,3.83,;-1.09,5.08,;.45,5.05,;1.24,6.36,;2.78,6.33,;3.53,4.98,;5.07,4.95,;2.73,3.66,;3.47,2.31,;1.19,3.69,)|
Show InChI InChI=1S/C22H15Cl5N4O/c1-12-20(21(32)28-11-13-4-6-15(24)16(25)9-13)29-31(18-7-5-14(23)10-17(18)26)22(12)30-8-2-3-19(30)27/h2-10H,11H2,1H3,(H,28,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
25.2n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50356551
PNG
(CHEMBL1909859)
Show SMILES CCc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H18Cl4N4O/c1-2-16-21(22(32)28-13-14-5-7-17(24)19(26)11-14)29-31(23(16)30-9-3-4-10-30)15-6-8-18(25)20(27)12-15/h3-12H,2,13H2,1H3,(H,28,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
29.6n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356539
PNG
(CHEMBL1909847)
Show SMILES Cc1c(nn(c1-n1cc2CCCCc2c1)-c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C26H22Cl4N4O/c1-15-24(25(35)31-12-16-6-8-20(28)21(29)10-16)32-34(23-9-7-19(27)11-22(23)30)26(15)33-13-17-4-2-3-5-18(17)14-33/h6-11,13-14H,2-5,12H2,1H3,(H,31,35)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
45.9n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356554
PNG
(CHEMBL1909957)
Show SMILES CCc1c(nn(c1-n1c(C)ccc1C)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1 |(34.91,5.92,;34.28,4.51,;35.19,3.27,;36.72,3.27,;37.2,1.8,;35.95,.9,;34.71,1.81,;33.24,1.35,;32,2.28,;32.03,3.82,;30.75,1.4,;31.2,-.08,;32.74,-.1,;33.22,-1.53,;35.95,-.63,;34.61,-1.4,;34.61,-2.94,;35.94,-3.71,;35.94,-5.25,;37.28,-2.94,;38.62,-3.7,;37.28,-1.4,;37.63,4.51,;37.01,5.92,;39.16,4.35,;40.07,5.59,;41.6,5.42,;42.5,6.66,;41.89,8.08,;40.35,8.25,;39.43,6.99,)|
Show InChI InChI=1S/C24H28Cl2N4O/c1-4-19-22(23(31)27-17-8-6-5-7-9-17)28-30(18-12-13-20(25)21(26)14-18)24(19)29-15(2)10-11-16(29)3/h10-14,17H,4-9H2,1-3H3,(H,27,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
48n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356541
PNG
(CHEMBL1909849)
Show SMILES CCc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H18Cl4N4O/c1-2-16-21(22(32)28-13-14-5-7-17(25)18(26)11-14)29-31(23(16)30-9-3-4-10-30)20-8-6-15(24)12-19(20)27/h3-12H,2,13H2,1H3,(H,28,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
48.7n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356543
PNG
(CHEMBL1909851)
Show SMILES CCc1c(nn(c1-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1 |(7.68,-5.83,;7.05,-7.24,;7.96,-8.48,;9.49,-8.49,;9.97,-9.95,;8.72,-10.85,;7.48,-9.95,;6.01,-10.4,;4.77,-9.47,;4.8,-7.93,;3.52,-10.36,;3.97,-11.83,;5.51,-11.85,;5.9,-13.33,;8.72,-12.39,;7.38,-13.15,;7.38,-14.69,;8.71,-15.47,;8.71,-17.01,;10.05,-14.69,;10.05,-13.15,;11.38,-12.38,;10.4,-7.24,;9.78,-5.83,;11.93,-7.4,;12.84,-6.16,;14.38,-6.19,;15.17,-4.88,;16.71,-4.91,;17.46,-6.26,;19,-6.29,;16.66,-7.58,;17.4,-8.93,;15.12,-7.55,)|
Show InChI InChI=1S/C25H22Cl4N4O/c1-4-18-23(24(34)30-13-16-7-9-19(27)20(28)11-16)31-33(22-10-8-17(26)12-21(22)29)25(18)32-14(2)5-6-15(32)3/h5-12H,4,13H2,1-3H3,(H,30,34)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
53.1n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50356547
PNG
(CHEMBL1909855)
Show SMILES Cc1c(nn(c1-n1cccc1Cl)-c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(Cl)c(Cl)c1 |(-6.94,-37.02,;-6.03,-38.27,;-4.49,-38.27,;-4.02,-39.73,;-5.27,-40.63,;-6.51,-39.73,;-7.98,-40.18,;-8.48,-41.64,;-10.02,-41.61,;-10.48,-40.14,;-9.22,-39.25,;-9.19,-37.71,;-5.27,-42.17,;-6.61,-42.94,;-6.61,-44.48,;-5.28,-45.25,;-5.28,-46.8,;-3.94,-44.48,;-2.6,-45.24,;-3.94,-42.94,;-3.59,-37.02,;-4.21,-35.61,;-2.05,-37.19,;-1.15,-35.94,;.39,-35.92,;1.17,-37.25,;2.7,-37.24,;3.46,-35.9,;5,-35.88,;2.67,-34.57,;3.42,-33.23,;1.14,-34.59,)|
Show InChI InChI=1S/C22H15Cl5N4O/c1-12-20(21(32)28-11-13-4-6-15(23)17(25)9-13)29-31(14-5-7-16(24)18(26)10-14)22(12)30-8-2-3-19(30)27/h2-10H,11H2,1H3,(H,28,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
53.9n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356549
PNG
(CHEMBL1909857)
Show SMILES Cc1c(nn(c1-n1c(Cl)ccc1Cl)-c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(Cl)c(Cl)c1 |(18.71,-36.55,;19.62,-37.8,;21.16,-37.8,;21.63,-39.27,;20.38,-40.17,;19.14,-39.26,;17.67,-39.72,;16.43,-38.79,;16.46,-37.24,;15.17,-39.67,;15.63,-41.15,;17.17,-41.17,;18.05,-42.43,;20.38,-41.71,;19.04,-42.47,;19.04,-44.01,;20.37,-44.79,;20.37,-46.33,;21.71,-44.01,;23.05,-44.78,;21.71,-42.47,;22.06,-36.56,;21.44,-35.15,;23.6,-36.72,;24.5,-35.47,;26.04,-35.46,;26.82,-36.78,;28.35,-36.77,;29.11,-35.43,;30.65,-35.41,;28.32,-34.1,;29.07,-32.76,;26.79,-34.12,)|
Show InChI InChI=1S/C22H14Cl6N4O/c1-11-20(21(33)29-10-12-2-4-14(23)16(25)8-12)30-32(13-3-5-15(24)17(26)9-13)22(11)31-18(27)6-7-19(31)28/h2-9H,10H2,1H3,(H,29,33)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
55.6n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50356543
PNG
(CHEMBL1909851)
Show SMILES CCc1c(nn(c1-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1 |(7.68,-5.83,;7.05,-7.24,;7.96,-8.48,;9.49,-8.49,;9.97,-9.95,;8.72,-10.85,;7.48,-9.95,;6.01,-10.4,;4.77,-9.47,;4.8,-7.93,;3.52,-10.36,;3.97,-11.83,;5.51,-11.85,;5.9,-13.33,;8.72,-12.39,;7.38,-13.15,;7.38,-14.69,;8.71,-15.47,;8.71,-17.01,;10.05,-14.69,;10.05,-13.15,;11.38,-12.38,;10.4,-7.24,;9.78,-5.83,;11.93,-7.4,;12.84,-6.16,;14.38,-6.19,;15.17,-4.88,;16.71,-4.91,;17.46,-6.26,;19,-6.29,;16.66,-7.58,;17.4,-8.93,;15.12,-7.55,)|
Show InChI InChI=1S/C25H22Cl4N4O/c1-4-18-23(24(34)30-13-16-7-9-19(27)20(28)11-16)31-33(22-10-8-17(26)12-21(22)29)25(18)32-14(2)5-6-15(32)3/h5-12H,4,13H2,1-3H3,(H,30,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
56.1n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356537
PNG
(CHEMBL1909845)
Show SMILES Cc1c(nn(c1-n1c(Cl)ccc1Cl)-c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1 |(17.83,4.94,;18.73,3.7,;20.27,3.69,;20.74,2.23,;19.49,1.33,;18.25,2.23,;16.79,1.76,;15.54,2.67,;15.54,4.21,;14.29,1.77,;14.77,.31,;16.31,.3,;17.21,-.95,;19.49,-.21,;18.15,-.97,;18.15,-2.51,;19.48,-3.29,;19.48,-4.83,;20.82,-2.51,;20.82,-.97,;22.15,-.2,;21.17,4.94,;20.55,6.35,;22.7,4.78,;23.61,6.02,;25.15,5.99,;25.94,7.3,;27.48,7.27,;28.23,5.92,;29.77,5.89,;27.43,4.6,;28.17,3.25,;25.89,4.63,)|
Show InChI InChI=1S/C22H14Cl6N4O/c1-11-20(21(33)29-10-12-2-4-14(24)15(25)8-12)30-32(17-5-3-13(23)9-16(17)26)22(11)31-18(27)6-7-19(31)28/h2-9H,10H2,1H3,(H,29,33)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
66.1n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50356539
PNG
(CHEMBL1909847)
Show SMILES Cc1c(nn(c1-n1cc2CCCCc2c1)-c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C26H22Cl4N4O/c1-15-24(25(35)31-12-16-6-8-20(28)21(29)10-16)32-34(23-9-7-19(27)11-22(23)30)26(15)33-13-17-4-2-3-5-18(17)14-33/h6-11,13-14H,2-5,12H2,1H3,(H,31,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
72.9n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356547
PNG
(CHEMBL1909855)
Show SMILES Cc1c(nn(c1-n1cccc1Cl)-c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(Cl)c(Cl)c1 |(-6.94,-37.02,;-6.03,-38.27,;-4.49,-38.27,;-4.02,-39.73,;-5.27,-40.63,;-6.51,-39.73,;-7.98,-40.18,;-8.48,-41.64,;-10.02,-41.61,;-10.48,-40.14,;-9.22,-39.25,;-9.19,-37.71,;-5.27,-42.17,;-6.61,-42.94,;-6.61,-44.48,;-5.28,-45.25,;-5.28,-46.8,;-3.94,-44.48,;-2.6,-45.24,;-3.94,-42.94,;-3.59,-37.02,;-4.21,-35.61,;-2.05,-37.19,;-1.15,-35.94,;.39,-35.92,;1.17,-37.25,;2.7,-37.24,;3.46,-35.9,;5,-35.88,;2.67,-34.57,;3.42,-33.23,;1.14,-34.59,)|
Show InChI InChI=1S/C22H15Cl5N4O/c1-12-20(21(32)28-11-13-4-6-15(23)17(25)9-13)29-31(14-5-7-16(24)18(26)10-14)22(12)30-8-2-3-19(30)27/h2-10H,11H2,1H3,(H,28,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
74.1n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50356535
PNG
(CHEMBL1909843)
Show SMILES Cc1c(nn(c1-n1cccc1Cl)-c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1 |(-6.88,4,;-5.97,2.75,;-4.44,2.75,;-3.96,1.29,;-5.21,.39,;-6.45,1.29,;-7.91,.82,;-8.39,-.64,;-9.93,-.64,;-10.41,.83,;-9.16,1.73,;-9.16,3.27,;-5.21,-1.15,;-6.55,-1.91,;-6.55,-3.45,;-5.22,-4.23,;-5.22,-5.77,;-3.88,-3.45,;-3.88,-1.91,;-2.55,-1.14,;-3.53,4,;-4.15,5.4,;-2,3.83,;-1.09,5.08,;.45,5.05,;1.24,6.36,;2.78,6.33,;3.53,4.98,;5.07,4.95,;2.73,3.66,;3.47,2.31,;1.19,3.69,)|
Show InChI InChI=1S/C22H15Cl5N4O/c1-12-20(21(32)28-11-13-4-6-15(24)16(25)9-13)29-31(18-7-5-14(23)10-17(18)26)22(12)30-8-2-3-19(30)27/h2-10H,11H2,1H3,(H,28,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
98.5n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50356553
PNG
(CHEMBL1909861)
Show SMILES CCc1c(nn(c1-n1c(C)ccc1C)-c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(Cl)c(Cl)c1 |(18.79,4.76,;18.16,3.35,;19.07,2.1,;20.6,2.1,;21.08,.64,;19.83,-.27,;18.59,.64,;17.12,.19,;15.88,1.12,;15.91,2.66,;14.62,.23,;15.08,-1.24,;16.62,-1.27,;17.09,-2.64,;19.83,-1.8,;18.49,-2.57,;18.49,-4.11,;19.82,-4.88,;19.82,-6.42,;21.16,-4.11,;22.5,-4.87,;21.16,-2.57,;21.51,3.35,;20.89,4.75,;23.04,3.18,;23.95,4.43,;25.49,4.42,;26.25,3.09,;27.78,3.08,;28.56,4.41,;30.1,4.4,;27.79,5.75,;28.56,7.08,;26.25,5.75,)|
Show InChI InChI=1S/C25H22Cl4N4O/c1-4-18-23(24(34)30-13-16-7-9-19(26)21(28)11-16)31-33(17-8-10-20(27)22(29)12-17)25(18)32-14(2)5-6-15(32)3/h5-12H,4,13H2,1-3H3,(H,30,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
114n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50356537
PNG
(CHEMBL1909845)
Show SMILES Cc1c(nn(c1-n1c(Cl)ccc1Cl)-c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1 |(17.83,4.94,;18.73,3.7,;20.27,3.69,;20.74,2.23,;19.49,1.33,;18.25,2.23,;16.79,1.76,;15.54,2.67,;15.54,4.21,;14.29,1.77,;14.77,.31,;16.31,.3,;17.21,-.95,;19.49,-.21,;18.15,-.97,;18.15,-2.51,;19.48,-3.29,;19.48,-4.83,;20.82,-2.51,;20.82,-.97,;22.15,-.2,;21.17,4.94,;20.55,6.35,;22.7,4.78,;23.61,6.02,;25.15,5.99,;25.94,7.3,;27.48,7.27,;28.23,5.92,;29.77,5.89,;27.43,4.6,;28.17,3.25,;25.89,4.63,)|
Show InChI InChI=1S/C22H14Cl6N4O/c1-11-20(21(33)29-10-12-2-4-14(24)15(25)8-12)30-32(17-5-3-13(23)9-16(17)26)22(11)31-18(27)6-7-19(31)28/h2-9H,10H2,1H3,(H,29,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
135n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356546
PNG
(CHEMBL1909854)
Show SMILES CCc1ccc(CC)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1 |(32.01,-22.38,;33.33,-23.17,;33.3,-24.71,;32.04,-25.6,;32.5,-27.07,;34.04,-27.09,;34.92,-28.36,;34.27,-29.75,;34.54,-25.64,;36.01,-25.19,;36.49,-23.73,;35.58,-22.48,;38.02,-23.73,;38.5,-25.19,;37.25,-26.09,;37.25,-27.63,;35.91,-28.4,;35.91,-29.94,;37.24,-30.71,;37.24,-32.25,;38.58,-29.93,;39.91,-30.7,;38.58,-28.4,;38.93,-22.49,;38.31,-21.08,;40.46,-22.65,;41.37,-21.4,;42.89,-21.58,;43.8,-20.34,;43.18,-18.93,;41.65,-18.76,;40.73,-20.01,)|
Show InChI InChI=1S/C25H30Cl2N4O/c1-4-18-11-12-19(5-2)30(18)25-16(3)23(24(32)28-17-9-7-6-8-10-17)29-31(25)20-13-14-21(26)22(27)15-20/h11-15,17H,4-10H2,1-3H3,(H,28,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
136n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50356549
PNG
(CHEMBL1909857)
Show SMILES Cc1c(nn(c1-n1c(Cl)ccc1Cl)-c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(Cl)c(Cl)c1 |(18.71,-36.55,;19.62,-37.8,;21.16,-37.8,;21.63,-39.27,;20.38,-40.17,;19.14,-39.26,;17.67,-39.72,;16.43,-38.79,;16.46,-37.24,;15.17,-39.67,;15.63,-41.15,;17.17,-41.17,;18.05,-42.43,;20.38,-41.71,;19.04,-42.47,;19.04,-44.01,;20.37,-44.79,;20.37,-46.33,;21.71,-44.01,;23.05,-44.78,;21.71,-42.47,;22.06,-36.56,;21.44,-35.15,;23.6,-36.72,;24.5,-35.47,;26.04,-35.46,;26.82,-36.78,;28.35,-36.77,;29.11,-35.43,;30.65,-35.41,;28.32,-34.1,;29.07,-32.76,;26.79,-34.12,)|
Show InChI InChI=1S/C22H14Cl6N4O/c1-11-20(21(33)29-10-12-2-4-14(23)16(25)8-12)30-32(13-3-5-15(24)17(26)9-13)22(11)31-18(27)6-7-19(31)28/h2-9H,10H2,1H3,(H,29,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
162n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50356540
PNG
(CHEMBL1909848)
Show SMILES Cc1c(nn(c1-n1cc2CCCCc2c1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C25H28Cl2N4O/c1-16-23(24(32)28-20-9-3-2-4-10-20)29-31(22-12-11-19(26)13-21(22)27)25(16)30-14-17-7-5-6-8-18(17)15-30/h11-15,20H,2-10H2,1H3,(H,28,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
376n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50356546
PNG
(CHEMBL1909854)
Show SMILES CCc1ccc(CC)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1 |(32.01,-22.38,;33.33,-23.17,;33.3,-24.71,;32.04,-25.6,;32.5,-27.07,;34.04,-27.09,;34.92,-28.36,;34.27,-29.75,;34.54,-25.64,;36.01,-25.19,;36.49,-23.73,;35.58,-22.48,;38.02,-23.73,;38.5,-25.19,;37.25,-26.09,;37.25,-27.63,;35.91,-28.4,;35.91,-29.94,;37.24,-30.71,;37.24,-32.25,;38.58,-29.93,;39.91,-30.7,;38.58,-28.4,;38.93,-22.49,;38.31,-21.08,;40.46,-22.65,;41.37,-21.4,;42.89,-21.58,;43.8,-20.34,;43.18,-18.93,;41.65,-18.76,;40.73,-20.01,)|
Show InChI InChI=1S/C25H30Cl2N4O/c1-4-18-11-12-19(5-2)30(18)25-16(3)23(24(32)28-17-9-7-6-8-10-17)29-31(25)20-13-14-21(26)22(27)15-20/h11-15,17H,4-10H2,1-3H3,(H,28,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
410n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356551
PNG
(CHEMBL1909859)
Show SMILES CCc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H18Cl4N4O/c1-2-16-21(22(32)28-13-14-5-7-17(24)19(26)11-14)29-31(23(16)30-9-3-4-10-30)15-6-8-18(25)20(27)12-15/h3-12H,2,13H2,1H3,(H,28,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
454n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50356541
PNG
(CHEMBL1909849)
Show SMILES CCc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H18Cl4N4O/c1-2-16-21(22(32)28-13-14-5-7-17(25)18(26)11-14)29-31(23(16)30-9-3-4-10-30)20-8-6-15(24)12-19(20)27/h3-12H,2,13H2,1H3,(H,28,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
455n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50356544
PNG
(CHEMBL1909852)
Show SMILES CCc1c(nn(c1-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 |(7.94,-21.87,;7.31,-23.28,;8.21,-24.52,;9.75,-24.52,;10.22,-25.99,;8.98,-26.89,;7.74,-25.98,;6.27,-26.44,;5.03,-25.51,;5.06,-23.97,;3.77,-26.39,;4.23,-27.87,;5.77,-27.89,;6.24,-29.32,;8.98,-28.42,;7.64,-29.19,;7.63,-30.73,;8.97,-31.5,;8.97,-33.04,;10.31,-30.73,;10.3,-29.19,;11.64,-28.42,;10.66,-23.28,;10.03,-21.87,;12.19,-23.44,;13.1,-22.2,;14.63,-22.37,;15.53,-21.13,;14.92,-19.72,;13.38,-19.56,;12.47,-20.8,)|
Show InChI InChI=1S/C24H28Cl2N4O/c1-4-19-22(23(31)27-18-8-6-5-7-9-18)28-30(21-13-12-17(25)14-20(21)26)24(19)29-15(2)10-11-16(29)3/h10-14,18H,4-9H2,1-3H3,(H,27,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
754n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356553
PNG
(CHEMBL1909861)
Show SMILES CCc1c(nn(c1-n1c(C)ccc1C)-c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(Cl)c(Cl)c1 |(18.79,4.76,;18.16,3.35,;19.07,2.1,;20.6,2.1,;21.08,.64,;19.83,-.27,;18.59,.64,;17.12,.19,;15.88,1.12,;15.91,2.66,;14.62,.23,;15.08,-1.24,;16.62,-1.27,;17.09,-2.64,;19.83,-1.8,;18.49,-2.57,;18.49,-4.11,;19.82,-4.88,;19.82,-6.42,;21.16,-4.11,;22.5,-4.87,;21.16,-2.57,;21.51,3.35,;20.89,4.75,;23.04,3.18,;23.95,4.43,;25.49,4.42,;26.25,3.09,;27.78,3.08,;28.56,4.41,;30.1,4.4,;27.79,5.75,;28.56,7.08,;26.25,5.75,)|
Show InChI InChI=1S/C25H22Cl4N4O/c1-4-18-23(24(34)30-13-16-7-9-19(26)21(28)11-16)31-33(17-8-10-20(27)22(29)12-17)25(18)32-14(2)5-6-15(32)3/h5-12H,4,13H2,1-3H3,(H,30,34)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
966n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50356545
PNG
(CHEMBL1909853)
Show SMILES CCc1ccc(CC)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(Cl)c(Cl)c1 |(16.16,-22.57,;17.49,-23.36,;17.46,-24.9,;16.2,-25.79,;16.65,-27.26,;18.19,-27.28,;19.08,-28.54,;18.43,-29.94,;18.69,-25.83,;20.17,-25.38,;20.64,-23.92,;19.74,-22.67,;22.18,-23.92,;22.65,-25.38,;21.41,-26.28,;21.4,-27.82,;20.07,-28.58,;20.06,-30.12,;21.4,-30.9,;21.4,-32.44,;22.74,-30.12,;24.07,-30.89,;22.73,-28.58,;23.09,-22.67,;22.46,-21.27,;24.62,-22.84,;25.53,-21.59,;27.07,-21.59,;27.84,-22.92,;29.38,-22.92,;30.15,-21.58,;31.69,-21.58,;29.37,-20.25,;30.13,-18.91,;27.83,-20.25,)|
Show InChI InChI=1S/C26H24Cl4N4O/c1-4-17-7-8-18(5-2)33(17)26-15(3)24(32-34(26)19-9-11-21(28)23(30)13-19)25(35)31-14-16-6-10-20(27)22(29)12-16/h6-13H,4-5,14H2,1-3H3,(H,31,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356545
PNG
(CHEMBL1909853)
Show SMILES CCc1ccc(CC)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(Cl)c(Cl)c1 |(16.16,-22.57,;17.49,-23.36,;17.46,-24.9,;16.2,-25.79,;16.65,-27.26,;18.19,-27.28,;19.08,-28.54,;18.43,-29.94,;18.69,-25.83,;20.17,-25.38,;20.64,-23.92,;19.74,-22.67,;22.18,-23.92,;22.65,-25.38,;21.41,-26.28,;21.4,-27.82,;20.07,-28.58,;20.06,-30.12,;21.4,-30.9,;21.4,-32.44,;22.74,-30.12,;24.07,-30.89,;22.73,-28.58,;23.09,-22.67,;22.46,-21.27,;24.62,-22.84,;25.53,-21.59,;27.07,-21.59,;27.84,-22.92,;29.38,-22.92,;30.15,-21.58,;31.69,-21.58,;29.37,-20.25,;30.13,-18.91,;27.83,-20.25,)|
Show InChI InChI=1S/C26H24Cl4N4O/c1-4-17-7-8-18(5-2)33(17)26-15(3)24(32-34(26)19-9-11-21(28)23(30)13-19)25(35)31-14-16-6-10-20(27)22(29)12-16/h6-13H,4-5,14H2,1-3H3,(H,31,35)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor expressed in HEK cells


Eur J Med Chem 46: 5641-53 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.037
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%