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Compile Data Set for Download or QSAR

Found 6 hits of ki for monomerid = 86933   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86933
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)NC(=O)Cc1cccs1 |TLB:21:22:7.12.13:5.4.18,THB:23:22:7.12.13:5.4.18|
Show InChI InChI=1S/C26H30N2O4S/c29-19-6-5-16-12-20-26(31)8-7-18(27-21(30)13-17-2-1-11-33-17)24-25(26,22(16)23(19)32-24)9-10-28(20)14-15-3-4-15/h1-2,5-6,11,15,18,20,24,29,31H,3-4,7-10,12-14H2,(H,27,30)
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PubMed
0.380n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86933
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)NC(=O)Cc1cccs1 |TLB:21:22:7.12.13:5.4.18,THB:23:22:7.12.13:5.4.18|
Show InChI InChI=1S/C26H30N2O4S/c29-19-6-5-16-12-20-26(31)8-7-18(27-21(30)13-17-2-1-11-33-17)24-25(26,22(16)23(19)32-24)9-10-28(20)14-15-3-4-15/h1-2,5-6,11,15,18,20,24,29,31H,3-4,7-10,12-14H2,(H,27,30)
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0.430n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86933
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)NC(=O)Cc1cccs1 |TLB:21:22:7.12.13:5.4.18,THB:23:22:7.12.13:5.4.18|
Show InChI InChI=1S/C26H30N2O4S/c29-19-6-5-16-12-20-26(31)8-7-18(27-21(30)13-17-2-1-11-33-17)24-25(26,22(16)23(19)32-24)9-10-28(20)14-15-3-4-15/h1-2,5-6,11,15,18,20,24,29,31H,3-4,7-10,12-14H2,(H,27,30)
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1.20n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86933
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)NC(=O)Cc1cccs1 |TLB:21:22:7.12.13:5.4.18,THB:23:22:7.12.13:5.4.18|
Show InChI InChI=1S/C26H30N2O4S/c29-19-6-5-16-12-20-26(31)8-7-18(27-21(30)13-17-2-1-11-33-17)24-25(26,22(16)23(19)32-24)9-10-28(20)14-15-3-4-15/h1-2,5-6,11,15,18,20,24,29,31H,3-4,7-10,12-14H2,(H,27,30)
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2.07n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86933
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)NC(=O)Cc1cccs1 |TLB:21:22:7.12.13:5.4.18,THB:23:22:7.12.13:5.4.18|
Show InChI InChI=1S/C26H30N2O4S/c29-19-6-5-16-12-20-26(31)8-7-18(27-21(30)13-17-2-1-11-33-17)24-25(26,22(16)23(19)32-24)9-10-28(20)14-15-3-4-15/h1-2,5-6,11,15,18,20,24,29,31H,3-4,7-10,12-14H2,(H,27,30)
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2.74n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86933
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)NC(=O)Cc1cccs1 |TLB:21:22:7.12.13:5.4.18,THB:23:22:7.12.13:5.4.18|
Show InChI InChI=1S/C26H30N2O4S/c29-19-6-5-16-12-20-26(31)8-7-18(27-21(30)13-17-2-1-11-33-17)24-25(26,22(16)23(19)32-24)9-10-28(20)14-15-3-4-15/h1-2,5-6,11,15,18,20,24,29,31H,3-4,7-10,12-14H2,(H,27,30)
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32.4n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair