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PubMed code 2832604

Compile data set for download or QSAR
Found 3 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
Delta-type opioid receptor


(MOUSE)
BDBM50018789
PNG
(17,17'-Dimethyl-6,6',7,7'-tetradehydro-4,5:4',5'-d...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1c4[nH]c2[C@@H]3Oc4c6c(C[C@@H]7[C@H](Cc12)[C@]36CCN7C)ccc4O)ccc5O |TLB:37:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C34H35N3O4/c1-36-9-7-33-19-13-17-18-14-20-22-12-16-4-6-24(39)30-26(16)34(20,8-10-37(22)2)32(41-30)28(18)35-27(17)31(33)40-29-23(38)5-3-15(25(29)33)11-21(19)36/h3-6,19-22,31-32,35,38-39H,7-14H2,1-2H3/t19-,20-,21+,22?,31-,32-,33-,34-/m0/s1
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PubMed
n/an/a 52n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonistic activity in mouse vas deferens


J Med Chem 31: 836-41 (1988)


BindingDB Entry DOI: 10.7270/Q2MG7Q3Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50018790
PNG
(17,17'-Dimethyl-6,6',7,7'-tetradehydro-4,5:4',5'-d...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2[C@@H]3Oc4c6c(C[C@H]7N(C)CC[C@@]36[C@@]7(O)Cc12)ccc4O)ccc5O |TLB:39:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C34H35N3O6/c1-36-9-7-31-23-15-3-5-19(38)27(23)42-29(31)25-17(13-33(31,40)21(36)11-15)18-14-34(41)22-12-16-4-6-20(39)28-24(16)32(34,8-10-37(22)2)30(43-28)26(18)35-25/h3-6,21-22,29-30,35,38-41H,7-14H2,1-2H3/t21-,22?,29+,30+,31+,32+,33-,34-/m1/s1
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n/an/a 170n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonistic activity in mouse vas deferens


J Med Chem 31: 836-41 (1988)


BindingDB Entry DOI: 10.7270/Q2MG7Q3Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50018791
PNG
(17,17'-Dimethyl-3,3'-dimethoxy-6,6',7,7'-tetradehy...)
Show SMILES COc1ccc2CC3[C@@H]4Cc5c6C[C@H]7[C@H]8Cc9ccc(OC)c%10O[C@@H](c6[nH]c5[C@@H]5Oc1c2[C@]45CCN3C)[C@]7(CCN8C)c9%10 |THB:4:5:8:35.33.34,30:31:8:35.33.34|
Show InChI InChI=1S/C36H39N3O4/c1-38-11-9-35-21-15-19-20-16-22-24-14-18-6-8-26(41-4)32-28(18)36(22,10-12-39(24)2)34(43-32)30(20)37-29(19)33(35)42-31-25(40-3)7-5-17(27(31)35)13-23(21)38/h5-8,21-24,33-34,37H,9-16H2,1-4H3/t21-,22-,23+,24?,33-,34-,35-,36-/m0/s1
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PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonistic activity in mouse vas deferens


J Med Chem 31: 836-41 (1988)


BindingDB Entry DOI: 10.7270/Q2MG7Q3Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%