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Compile Data Set for Download or QSAR

Found 4 hits of affinity data for UniProtKB/TrEMBL: Q9PUI7   
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


(Newt)
BDBM21244
PNG
(2-[(1S,2S,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)CC[C@@H]2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m0/s1
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3.80n/an/an/an/an/an/an/an/a



Oregon State University

Curated by PDSP Ki Database




J Neurochem 75: 413-23 (2000)


Article DOI: 10.1046/j.1471-4159.2000.0750413.x
BindingDB Entry DOI: 10.7270/Q26W98NP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Newt)
BDBM84888
PNG
(CAS_107822 | CAS_71048-87-8 | Levonantradol | NSC_...)
Show SMILES CC(CCCc1ccccc1)Oc1cc2NC(C)C3CCC(O)CC3c2c(OC(C)=O)c1
Show InChI InChI=1S/C27H35NO4/c1-17(8-7-11-20-9-5-4-6-10-20)31-22-15-25-27(26(16-22)32-19(3)29)24-14-21(30)12-13-23(24)18(2)28-25/h4-6,9-10,15-18,21,23-24,28,30H,7-8,11-14H2,1-3H3
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13n/an/an/an/an/an/an/an/a



Oregon State University

Curated by PDSP Ki Database




J Neurochem 75: 413-23 (2000)


Article DOI: 10.1046/j.1471-4159.2000.0750413.x
BindingDB Entry DOI: 10.7270/Q26W98NP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Newt)
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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MCE
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25.7n/an/an/an/an/an/an/an/a



Oregon State University

Curated by PDSP Ki Database




J Neurochem 75: 413-23 (2000)


Article DOI: 10.1046/j.1471-4159.2000.0750413.x
BindingDB Entry DOI: 10.7270/Q26W98NP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Newt)
BDBM85675
PNG
(Anandamide + PMSF | CHEMBL321585)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)NCCO
Show InChI InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h6-7,9-10,12-13,15-16,26H,2-5,8,11,14,17-23H2,1H3,(H,25,27)/b7-6-,10-9-,13-12-,16-15-
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KEGG
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2.40E+3n/an/an/an/an/an/an/an/a



Oregon State University

Curated by PDSP Ki Database




J Neurochem 75: 413-23 (2000)


Article DOI: 10.1046/j.1471-4159.2000.0750413.x
BindingDB Entry DOI: 10.7270/Q26W98NP
More data for this
Ligand-Target Pair