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PubMed code 16134948

Compile data set for download or QSAR
Found 15 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 1


(Rattus norvegicus (rat))
BDBM50172556
PNG
((4-Fluoro-naphthalen-1-yl)-[1-(1-methyl-piperidin-...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2ccc(F)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H25FN2O/c1-28-15-7-6-8-18(28)16-29-17-23(21-11-4-5-12-25(21)29)26(30)22-13-14-24(27)20-10-3-2-9-19(20)22/h2-5,9-14,17-18H,6-8,15-16H2,1H3
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0.700n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro binding affinity aganist rat cannabinoid receptor 1 using 0.5 nM [3H]-CP- 55940


J Med Chem 48: 5813-22 (2005)


Article DOI: 10.1021/jm0502743
BindingDB Entry DOI: 10.7270/Q23X865M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50172553
PNG
(CHEMBL68641 | [1-(1-Methyl-piperidin-2-ylmethyl)-1...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H26N2O/c1-27-16-7-6-11-20(27)17-28-18-24(22-13-4-5-15-25(22)28)26(29)23-14-8-10-19-9-2-3-12-21(19)23/h2-5,8-10,12-15,18,20H,6-7,11,16-17H2,1H3
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0.900n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro binding affinity aganist rat cannabinoid receptor 1 using 0.5 nM [3H]-CP- 55940


J Med Chem 48: 5813-22 (2005)


Article DOI: 10.1021/jm0502743
BindingDB Entry DOI: 10.7270/Q23X865M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50172543
PNG
(4-[1-(1-Methyl-piperidin-2-ylmethyl)-1H-indole-3-c...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2ccc(C#N)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C27H25N3O/c1-29-15-7-6-8-20(29)17-30-18-25(23-11-4-5-12-26(23)30)27(31)24-14-13-19(16-28)21-9-2-3-10-22(21)24/h2-5,9-14,18,20H,6-8,15,17H2,1H3
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1.10n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro binding affinity aganist rat cannabinoid receptor 1 using 0.5 nM [3H]-CP- 55940


J Med Chem 48: 5813-22 (2005)


Article DOI: 10.1021/jm0502743
BindingDB Entry DOI: 10.7270/Q23X865M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50172549
PNG
((4-Methyl-naphthalen-1-yl)-[1-(1-methyl-piperidin-...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2ccc(C)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C27H28N2O/c1-19-14-15-24(22-11-4-3-10-21(19)22)27(30)25-18-29(26-13-6-5-12-23(25)26)17-20-9-7-8-16-28(20)2/h3-6,10-15,18,20H,7-9,16-17H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro binding affinity aganist rat cannabinoid receptor 1 using 0.5 nM [3H]-CP- 55940


J Med Chem 48: 5813-22 (2005)


Article DOI: 10.1021/jm0502743
BindingDB Entry DOI: 10.7270/Q23X865M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50172545
PNG
((2-Iodo-phenyl)-[1-((S)-1-methyl-piperidin-2-ylmet...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2ccccc2I)c2ccccc12
Show InChI InChI=1S/C22H23IN2O/c1-24-13-7-6-8-16(24)14-25-15-19(17-9-3-5-12-21(17)25)22(26)18-10-2-4-11-20(18)23/h2-5,9-12,15-16H,6-8,13-14H2,1H3
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1.20n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro binding affinity aganist rat cannabinoid receptor 1 using 0.5 nM [3H]-CP- 55940


J Med Chem 48: 5813-22 (2005)


Article DOI: 10.1021/jm0502743
BindingDB Entry DOI: 10.7270/Q23X865M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50172555
PNG
(CHEMBL364223 | [4-(2-Hydroxy-ethyl)-naphthalen-1-y...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2ccc(CCO)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C28H30N2O2/c1-29-16-7-6-8-21(29)18-30-19-26(24-11-4-5-12-27(24)30)28(32)25-14-13-20(15-17-31)22-9-2-3-10-23(22)25/h2-5,9-14,19,21,31H,6-8,15-18H2,1H3
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1.30n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro binding affinity aganist rat cannabinoid receptor 1 using 0.5 nM [3H]-CP- 55940


J Med Chem 48: 5813-22 (2005)


Article DOI: 10.1021/jm0502743
BindingDB Entry DOI: 10.7270/Q23X865M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50172546
PNG
(CHEMBL194313 | [1-(1-Methyl-piperidin-2-ylmethyl)-...)
Show SMILES CN1CCCCC1Cn1nc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C25H25N3O/c1-27-16-7-6-11-19(27)17-28-23-15-5-4-13-22(23)24(26-28)25(29)21-14-8-10-18-9-2-3-12-20(18)21/h2-5,8-10,12-15,19H,6-7,11,16-17H2,1H3
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1.40n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro binding affinity aganist rat cannabinoid receptor 1 using 0.5 nM [3H]-CP- 55940


J Med Chem 48: 5813-22 (2005)


Article DOI: 10.1021/jm0502743
BindingDB Entry DOI: 10.7270/Q23X865M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50172551
PNG
((4-Bromo-naphthalen-1-yl)-[1-(1-methyl-piperidin-2...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2ccc(Br)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H25BrN2O/c1-28-15-7-6-8-18(28)16-29-17-23(21-11-4-5-12-25(21)29)26(30)22-13-14-24(27)20-10-3-2-9-19(20)22/h2-5,9-14,17-18H,6-8,15-16H2,1H3
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1.70n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro binding affinity aganist rat cannabinoid receptor 1 using 0.5 nM [3H]-CP- 55940


J Med Chem 48: 5813-22 (2005)


Article DOI: 10.1021/jm0502743
BindingDB Entry DOI: 10.7270/Q23X865M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50172547
PNG
((4-Hydroxy-naphthalen-1-yl)-[1-(1-methyl-piperidin...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2ccc(O)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H26N2O2/c1-27-15-7-6-8-18(27)16-28-17-23(20-10-4-5-12-24(20)28)26(30)22-13-14-25(29)21-11-3-2-9-19(21)22/h2-5,9-14,17-18,29H,6-8,15-16H2,1H3
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2.20n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro binding affinity aganist rat cannabinoid receptor 1 using 0.5 nM [3H]-CP- 55940


J Med Chem 48: 5813-22 (2005)


Article DOI: 10.1021/jm0502743
BindingDB Entry DOI: 10.7270/Q23X865M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50172548
PNG
((4-Methoxy-naphthalen-1-yl)-[1-(1-methyl-piperidin...)
Show SMILES COc1ccc(C(=O)c2cn(CC3CCCCN3C)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C27H28N2O2/c1-28-16-8-7-9-19(28)17-29-18-24(21-11-5-6-13-25(21)29)27(30)23-14-15-26(31-2)22-12-4-3-10-20(22)23/h3-6,10-15,18-19H,7-9,16-17H2,1-2H3
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2.30n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro binding affinity aganist rat cannabinoid receptor 1 using 0.5 nM [3H]-CP- 55940


J Med Chem 48: 5813-22 (2005)


Article DOI: 10.1021/jm0502743
BindingDB Entry DOI: 10.7270/Q23X865M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50172544
PNG
((6-Hydroxy-naphthalen-1-yl)-[1-(1-methyl-piperidin...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2cccc3cc(O)ccc23)c2ccccc12
Show InChI InChI=1S/C26H26N2O2/c1-27-14-5-4-8-19(27)16-28-17-24(22-9-2-3-11-25(22)28)26(30)23-10-6-7-18-15-20(29)12-13-21(18)23/h2-3,6-7,9-13,15,17,19,29H,4-5,8,14,16H2,1H3
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4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro binding affinity aganist rat cannabinoid receptor 1 using 0.5 nM [3H]-CP- 55940


J Med Chem 48: 5813-22 (2005)


Article DOI: 10.1021/jm0502743
BindingDB Entry DOI: 10.7270/Q23X865M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50172557
PNG
((2-Methyl-naphthalen-1-yl)-[1-(1-methyl-piperidin-...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2c(C)ccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C27H28N2O/c1-19-14-15-20-9-3-4-11-22(20)26(19)27(30)24-18-29(25-13-6-5-12-23(24)25)17-21-10-7-8-16-28(21)2/h3-6,9,11-15,18,21H,7-8,10,16-17H2,1-2H3
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7.80n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro binding affinity aganist rat cannabinoid receptor 1 using 0.5 nM [3H]-CP- 55940


J Med Chem 48: 5813-22 (2005)


Article DOI: 10.1021/jm0502743
BindingDB Entry DOI: 10.7270/Q23X865M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50172552
PNG
(CHEMBL196834 | [1-(1-Methyl-piperidin-2-ylmethyl)-...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)N2CCCC3CCCCC23)c2ccccc12
Show InChI InChI=1S/C25H35N3O/c1-26-15-7-6-11-20(26)17-27-18-22(21-12-3-5-14-24(21)27)25(29)28-16-8-10-19-9-2-4-13-23(19)28/h3,5,12,14,18-20,23H,2,4,6-11,13,15-17H2,1H3
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12n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro binding affinity aganist rat cannabinoid receptor 1 using 0.5 nM [3H]-CP- 55940


J Med Chem 48: 5813-22 (2005)


Article DOI: 10.1021/jm0502743
BindingDB Entry DOI: 10.7270/Q23X865M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50172554
PNG
(CHEMBL196364 | [1-(1-Methyl-piperidin-2-ylmethyl)-...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)c2ccc([N+]([O-])=O)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H25N3O3/c1-27-15-7-6-8-18(27)16-28-17-23(21-11-4-5-12-24(21)28)26(30)22-13-14-25(29(31)32)20-10-3-2-9-19(20)22/h2-5,9-14,17-18H,6-8,15-16H2,1H3
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12.4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro binding affinity aganist rat cannabinoid receptor 1 using 0.5 nM [3H]-CP- 55940


J Med Chem 48: 5813-22 (2005)


Article DOI: 10.1021/jm0502743
BindingDB Entry DOI: 10.7270/Q23X865M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50172550
PNG
(1-(1-Methyl-piperidin-2-ylmethyl)-1H-indole-3-carb...)
Show SMILES CN1CCCCC1Cn1cc(C(=O)Nc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C26H27N3O/c1-28-16-7-6-11-20(28)17-29-18-23(22-13-4-5-15-25(22)29)26(30)27-24-14-8-10-19-9-2-3-12-21(19)24/h2-5,8-10,12-15,18,20H,6-7,11,16-17H2,1H3,(H,27,30)
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100n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro binding affinity aganist rat cannabinoid receptor 1 using 0.5 nM [3H]-CP- 55940


J Med Chem 48: 5813-22 (2005)


Article DOI: 10.1021/jm0502743
BindingDB Entry DOI: 10.7270/Q23X865M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%