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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'CNR1' and Ligand = 'BDBM21244'   
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
CNR1


(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: 10.1016/j.bioorg.2015.12.007
BindingDB Entry DOI: 10.7270/Q26W98NP
More data for this
Ligand-Target Pair
CNR1


(Zebra Finch)
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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5.92n/an/an/an/an/an/an/an/a



Florida State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 297: 189-97 (2001)


BindingDB Entry DOI: 10.7270/Q2X928WT
More data for this
Ligand-Target Pair
CNR1


(theromyzon Tessulatum)
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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33.8n/an/an/an/an/an/an/an/a



State University of New York at Old Westbury

Curated by PDSP Ki Database




Brain Res 753: 219-24 (1997)


Article DOI: 10.1016/s0006-8993(96)01484-9
BindingDB Entry DOI: 10.7270/Q2QR4VN3
More data for this
Ligand-Target Pair
CNR1


(Hirudo medicinalis)
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
PDB

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PC sid
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Article
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34.5n/an/an/an/an/an/an/an/a



State University of New York at Old Westbury

Curated by PDSP Ki Database




Brain Res 753: 219-24 (1997)


Article DOI: 10.1016/s0006-8993(96)01484-9
BindingDB Entry DOI: 10.7270/Q2QR4VN3
More data for this
Ligand-Target Pair