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Compile Data Set for Download or QSAR

Found 62 hits of ic50 data for polymerid = 10494   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50132717
PNG
(CHEMBL333149 | Isopropyl dodecylfluorophosphonate ...)
Show SMILES CCCCCCCCCCCCP(F)(=O)OC(C)C
Show InChI InChI=1S/C15H32FO2P/c1-4-5-6-7-8-9-10-11-12-13-14-19(16,17)18-15(2)3/h15H,4-14H2,1-3H3
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n/an/a 1.80n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity towards Cannabinoid receptor 1 was determined using [3H]-CP- cannabinoid as radioligand with mouse brain memebrane


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


(Mus musculus (Mouse))
BDBM50364920
PNG
(CHEMBL1950351)
Show SMILES CCS(=O)(=O)n1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCOCC1
Show InChI InChI=1S/C25H35N3O4S/c1-3-33(30,31)28-23-5-4-19(25(29)26-11-6-18(2)7-12-26)16-21(23)22-17-27(13-8-24(22)28)20-9-14-32-15-10-20/h4-5,16,18,20H,3,6-15,17H2,1-2H3
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n/an/a 1.90n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor in field-stimulated mouse vas deferens


Bioorg Med Chem Lett 22: 1619-24 (2012)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50132717
PNG
(CHEMBL333149 | Isopropyl dodecylfluorophosphonate ...)
Show SMILES CCCCCCCCCCCCP(F)(=O)OC(C)C
Show InChI InChI=1S/C15H32FO2P/c1-4-5-6-7-8-9-10-11-12-13-14-19(16,17)18-15(2)3/h15H,4-14H2,1-3H3
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n/an/a 2n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of radioligand from CB1 receptor in mouse brain membrane


Nat Chem Biol 4: 373-8 (2008)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50132717
PNG
(CHEMBL333149 | Isopropyl dodecylfluorophosphonate ...)
Show SMILES CCCCCCCCCCCCP(F)(=O)OC(C)C
Show InChI InChI=1S/C15H32FO2P/c1-4-5-6-7-8-9-10-11-12-13-14-19(16,17)18-15(2)3/h15H,4-14H2,1-3H3
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n/an/a 2n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50247086
PNG
(CHEMBL444970 | Chlorphrifos oxon | diethyl 3,5,6-t...)
Show SMILES CCOP(=O)(OCC)Oc1nc(Cl)c(Cl)cc1Cl
Show InChI InChI=1S/C9H11Cl3NO4P/c1-3-15-18(14,16-4-2)17-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 5875-8 (2008)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50247050
PNG
(4-cyanophenyl ethyl dodecylphosphonate | CHEMBL462...)
Show SMILES CCCCCCCCCCCCP(=O)(OCC)Oc1ccc(cc1)C#N
Show InChI InChI=1S/C21H34NO3P/c1-3-5-6-7-8-9-10-11-12-13-18-26(23,24-4-2)25-21-16-14-20(19-22)15-17-21/h14-17H,3-13,18H2,1-2H3
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n/an/a 4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50132715
PNG
(CHEMBL97038 | Dodecanesulfonyl fluoride | dodecane...)
Show SMILES CCCCCCCCCCCCS(F)(=O)=O
Show InChI InChI=1S/C12H25FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3
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n/an/a 6.90n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity towards Cannabinoid receptor 1 was determined using [3H]-CP- cannabinoid as radioligand with mouse brain memebrane


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


(Mus musculus (Mouse))
BDBM50132715
PNG
(CHEMBL97038 | Dodecanesulfonyl fluoride | dodecane...)
Show SMILES CCCCCCCCCCCCS(F)(=O)=O
Show InChI InChI=1S/C12H25FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3
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n/an/a 7n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50247086
PNG
(CHEMBL444970 | Chlorphrifos oxon | diethyl 3,5,6-t...)
Show SMILES CCOP(=O)(OCC)Oc1nc(Cl)c(Cl)cc1Cl
Show InChI InChI=1S/C9H11Cl3NO4P/c1-3-15-18(14,16-4-2)17-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50247051
PNG
(CHEMBL512224 | isopropyl 4-nitrophenyl dodecylphos...)
Show SMILES CCCCCCCCCCCCP(=O)(OC(C)C)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C21H36NO5P/c1-4-5-6-7-8-9-10-11-12-13-18-28(25,26-19(2)3)27-21-16-14-20(15-17-21)22(23)24/h14-17,19H,4-13,18H2,1-3H3
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n/an/a 12n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50247049
PNG
(CHEMBL462610 | ethyl 3,5,6-trichloropyridin-2-yl d...)
Show SMILES CCCCCCCCCCCCP(=O)(OCC)Oc1nc(Cl)c(Cl)cc1Cl
Show InChI InChI=1S/C19H31Cl3NO3P/c1-3-5-6-7-8-9-10-11-12-13-14-27(24,25-4-2)26-19-17(21)15-16(20)18(22)23-19/h15H,3-14H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50230370
PNG
(CHEMBL4097409)
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n/an/a 18n/an/an/an/an/an/a


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Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50230383
PNG
(CHEMBL4092420)
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n/an/a 19n/an/an/an/an/an/a


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Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50247048
PNG
(CHEMBL462609 | methyl icosylphosphonofluoridate)
Show SMILES CCCCCCCCCCCCCCCCCCCCP(F)(=O)OC
Show InChI InChI=1S/C21H44FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h3-21H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50230386
PNG
(CHEMBL4059902)
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n/an/a 22n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
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 25n/an/an/an/an/an/a


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


(Mus musculus (Mouse))
BDBM50230384
PNG
(CHEMBL4066919)
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n/an/a 30n/an/an/an/an/an/a


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Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50065011
PNG
(CHEMBL3402653)
Show SMILES CCCCCc1ccc([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1
Show InChI InChI=1/C21H30O/c1-5-6-7-8-17-10-12-19(21(22)14-17)20-13-16(4)9-11-18(20)15(2)3/h10,12-14,18,20,22H,2,5-9,11H2,1,3-4H3/t18-,20+/s2
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n/an/a 31n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Partial agonist activity at mouse CB1 receptor by vas deferens assay


Bioorg Med Chem 23: 1377-85 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50230396
PNG
(CHEMBL4089263)
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n/an/a 33n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50230409
PNG
(CHEMBL4100767)
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n/an/a 33n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM22988
PNG
((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO
Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-
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n/an/a 39n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity towards Cannabinoid receptor 1 was determined using [3H]-CP- cannabinoid as radioligand with mouse brain memebrane in the presence o...


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


(Mus musculus (Mouse))
BDBM50230401
PNG
(CHEMBL4088079)
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n/an/a 40n/an/an/an/an/an/a


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Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM239078
PNG
(US9416103, TV-5-157)
Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(OC)c12
Show InChI InChI=1S/C24H23NO2/c1-3-4-15-25-16-21(19-12-8-14-22(27-2)23(19)25)24(26)20-13-7-10-17-9-5-6-11-18(17)20/h5-14,16H,3-4,15H2,1-2H3
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n/an/a 45n/an/an/an/an/an/a



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
A functional assay screen for the inhibition of adenylate cyclase (AC) activity was chosen as the subsequent assay. This screen would allow us to gai...


Citation and Details
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Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50230408
PNG
(CHEMBL4076361)
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n/an/a 50n/an/an/an/an/an/a


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Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50230414
PNG
(CHEMBL4104443)
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n/an/a 65n/an/an/an/an/an/a


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Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50230406
PNG
(CHEMBL4077774)
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Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50230376
PNG
(CHEMBL4088193)
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n/an/a 70n/an/an/an/an/an/a


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Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50230403
PNG
(CHEMBL4082778)
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n/an/a 72n/an/an/an/an/an/a


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Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50230411
PNG
(RAC-IBIPINABANT | SLV-319)
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Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50230378
PNG
(CHEMBL4077892)
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n/an/a 76n/an/an/an/an/an/a


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Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50230377
PNG
(CHEMBL4095928)
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n/an/a 90n/an/an/an/an/an/a


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Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50230400
PNG
(CHEMBL4103562)
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n/an/a 97n/an/an/an/an/an/a


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Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50230416
PNG
(CHEMBL4081392)
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n/an/a 101n/an/an/an/an/an/a


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Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50230374
PNG
(CHEMBL4080344)
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n/an/a 113n/an/an/an/an/an/a


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Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50230369
PNG
(CHEMBL4079379)
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n/an/a 116n/an/an/an/an/an/a


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Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50230368
PNG
(CHEMBL4089687)
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n/an/a 117n/an/an/an/an/an/a


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Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50230372
PNG
(CHEMBL4080203)
PDB

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n/an/a 118n/an/an/an/an/an/a


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Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50230405
PNG
(CHEMBL4068077)
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n/an/a 125n/an/an/an/an/an/a


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Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50230385
PNG
(CHEMBL4103682)
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n/an/a 182n/an/an/an/an/an/a


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Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50230399
PNG
(CHEMBL4097908)
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n/an/a 213n/an/an/an/an/an/a


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Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50230381
PNG
(CHEMBL4068564)
PDB

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n/an/a 226n/an/an/an/an/an/a


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Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50230379
PNG
(CHEMBL4085754)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 241n/an/an/an/an/an/a


TBA



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


(Mus musculus (Mouse))
BDBM50230404
PNG
(CHEMBL4081820)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 292n/an/an/an/an/an/a


TBA



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


(Mus musculus (Mouse))
BDBM50132714
PNG
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenesulfonyl f...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCS(F)(=O)=O
Show InChI InChI=1S/C20H33FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(21,22)23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3/b7-6-,10-9-,13-12-,16-15-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 304n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity towards Cannabinoid receptor 1 was determined using [3H]-CP- cannabinoid as radioligand with mouse brain memebrane


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


(Mus musculus (Mouse))
BDBM50132714
PNG
((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenesulfonyl f...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCS(F)(=O)=O
Show InChI InChI=1S/C20H33FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(21,22)23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3/b7-6-,10-9-,13-12-,16-15-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 304n/an/an/an/an/an/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of [3H]CP-55940 binding to mouse Cannabinoid receptor 1


J Med Chem 48: 5059-87 (2005)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50230413
PNG
(CHEMBL4085630)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 329n/an/an/an/an/an/a


TBA



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


(Mus musculus (Mouse))
BDBM50230412
PNG
(CHEMBL4070796)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

n/an/a 395n/an/an/an/an/an/a


TBA



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


(Mus musculus (Mouse))
BDBM50230387
PNG
(CHEMBL4062181)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 441n/an/an/an/an/an/a


TBA



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


(Mus musculus (Mouse))
BDBM50132713
PNG
(Arachidonic acid derivative | CHEMBL113262 | Methy...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCP(F)(=O)OC
Show InChI InChI=1S/C21H36FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
PubMed
n/an/a 530n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity towards Cannabinoid receptor 1 was determined using [3H]-CP- cannabinoid as radioligand with mouse brain memebrane


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


(Mus musculus (Mouse))
BDBM50230415
PNG
(CHEMBL4105652)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 534n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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