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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'fujimura' and Initial = 'h'   
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
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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n/an/a 8.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against opiate receptor in rat using [3H]naloxone as radioligand


J Med Chem 28: 1656-61 (1985)


BindingDB Entry DOI: 10.7270/Q2028TR4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50001028
PNG
((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...)
Show SMILES [#6]-[#6@H]1-[#6@H]-2-[#6]-c3ccc(-[#8])cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |r,TLB:16:15:1:3.4.10|
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1
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n/an/a 53n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against opiate receptor in rat using [3H]naloxone as radioligand


J Med Chem 28: 1656-61 (1985)


BindingDB Entry DOI: 10.7270/Q2028TR4
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50225365
PNG
(CHEMBL44611)
Show SMILES C[C@H]1C2Cc3ccc(OC(=O)c4ccccc4)cc3[C@]1(C)CCN2C |THB:0:1:18.4.3:23.21.22|
Show InChI InChI=1S/C22H25NO2/c1-15-20-13-17-9-10-18(25-21(24)16-7-5-4-6-8-16)14-19(17)22(15,2)11-12-23(20)3/h4-10,14-15,20H,11-13H2,1-3H3/t15-,20?,22+/m0/s1
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n/an/a 107n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against opiate receptor in rat using [3H]naloxone as radioligand


J Med Chem 28: 1656-61 (1985)


BindingDB Entry DOI: 10.7270/Q2028TR4
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50225366
PNG
(CHEMBL290735)
Show SMILES C[C@H]1C2Cc3ccc(SC(=O)c4ccccc4)cc3[C@]1(C)CCN2C |THB:0:1:18.4.3:23.21.22|
Show InChI InChI=1S/C22H25NOS/c1-15-20-13-17-9-10-18(25-21(24)16-7-5-4-6-8-16)14-19(17)22(15,2)11-12-23(20)3/h4-10,14-15,20H,11-13H2,1-3H3/t15-,20?,22+/m0/s1
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n/an/a 1.53E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against opiate receptor in rat using [3H]naloxone as radioligand


J Med Chem 28: 1656-61 (1985)


BindingDB Entry DOI: 10.7270/Q2028TR4
More data for this
Ligand-Target Pair