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PubMed code 17659872

Compile data set for download or QSAR
Found 15 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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50218795
PNG
((1R,13S,14R)-24-(cyclopropylmethyl)-20-methoxy-4,2...)
Show SMILES COc1c(O)ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c12
Show InChI InChI=1S/C27H30N2O3/c1-32-25-22(30)9-8-17-12-23-27(31)13-19-18-4-2-3-5-20(18)28-21(19)14-26(27,24(17)25)10-11-29(23)15-16-6-7-16/h2-5,8-9,16,23,28,30-31H,6-7,10-15H2,1H3/t23-,26-,27-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]p-Cl-DPDPE from rat recombinant delta opioid receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 5175-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.087
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50218796
PNG
(CHEMBL557978 | OXYMORPHINDOLE CHLORIDE | oxymorphi...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O
Show InChI InChI=1S/C23H22N2O3/c1-25-9-8-22-18-12-6-7-16(26)20(18)28-21(22)19-14(11-23(22,27)17(25)10-12)13-4-2-3-5-15(13)24-19/h2-7,17,21,24,26-27H,8-11H2,1H3/t17-,21+,22+,23-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]p-Cl-DPDPE from rat recombinant delta opioid receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 5175-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.087
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50218793
PNG
((1R,13S,14R)-20-methoxy-24-methyl-4,24-diazahexacy...)
Show SMILES COc1c(O)ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c12
Show InChI InChI=1S/C24H26N2O3/c1-26-10-9-23-13-18-16(15-5-3-4-6-17(15)25-18)12-24(23,28)20(26)11-14-7-8-19(27)22(29-2)21(14)23/h3-8,20,25,27-28H,9-13H2,1-2H3/t20-,23-,24-/m1/s1
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4.5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]p-Cl-DPDPE from rat recombinant delta opioid receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 5175-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.087
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50218792
PNG
((1R,13S,14R)-24-(cyclopropylmethyl)-19,20-dimethox...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1OC
Show InChI InChI=1S/C28H32N2O3/c1-32-23-10-9-18-13-24-28(31)14-20-19-5-3-4-6-21(19)29-22(20)15-27(28,25(18)26(23)33-2)11-12-30(24)16-17-7-8-17/h3-6,9-10,17,24,29,31H,7-8,11-16H2,1-2H3/t24-,27-,28-/m1/s1
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19n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]p-Cl-DPDPE from rat recombinant delta opioid receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 5175-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.087
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50218794
PNG
((1R,13S,14R)-19,20-dimethoxy-24-methyl-4,24-diazah...)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1OC
Show InChI InChI=1S/C25H28N2O3/c1-27-11-10-24-14-19-17(16-6-4-5-7-18(16)26-19)13-25(24,28)21(27)12-15-8-9-20(29-2)23(30-3)22(15)24/h4-9,21,26,28H,10-14H2,1-3H3/t21-,24-,25-/m1/s1
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41n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]p-Cl-DPDPE from rat recombinant delta opioid receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 5175-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.087
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50218795
PNG
((1R,13S,14R)-24-(cyclopropylmethyl)-20-methoxy-4,2...)
Show SMILES COc1c(O)ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c12
Show InChI InChI=1S/C27H30N2O3/c1-32-25-22(30)9-8-17-12-23-27(31)13-19-18-4-2-3-5-20(18)28-21(19)14-26(27,24(17)25)10-11-29(23)15-16-6-7-16/h2-5,8-9,16,23,28,30-31H,6-7,10-15H2,1H3/t23-,26-,27-/m1/s1
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58n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat recombinant mu opioid receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 5175-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.087
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50218795
PNG
((1R,13S,14R)-24-(cyclopropylmethyl)-20-methoxy-4,2...)
Show SMILES COc1c(O)ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c12
Show InChI InChI=1S/C27H30N2O3/c1-32-25-22(30)9-8-17-12-23-27(31)13-19-18-4-2-3-5-20(18)28-21(19)14-26(27,24(17)25)10-11-29(23)15-16-6-7-16/h2-5,8-9,16,23,28,30-31H,6-7,10-15H2,1H3/t23-,26-,27-/m1/s1
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79n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5175-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.087
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50218796
PNG
(CHEMBL557978 | OXYMORPHINDOLE CHLORIDE | oxymorphi...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O
Show InChI InChI=1S/C23H22N2O3/c1-25-9-8-22-18-12-6-7-16(26)20(18)28-21(22)19-14(11-23(22,27)17(25)10-12)13-4-2-3-5-15(13)24-19/h2-7,17,21,24,26-27H,8-11H2,1H3/t17-,21+,22+,23-/m1/s1
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105n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat recombinant mu opioid receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 5175-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.087
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50218793
PNG
((1R,13S,14R)-20-methoxy-24-methyl-4,24-diazahexacy...)
Show SMILES COc1c(O)ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c12
Show InChI InChI=1S/C24H26N2O3/c1-26-10-9-23-13-18-16(15-5-3-4-6-17(15)25-18)12-24(23,28)20(26)11-14-7-8-19(27)22(29-2)21(14)23/h3-8,20,25,27-28H,9-13H2,1-2H3/t20-,23-,24-/m1/s1
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474n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat recombinant mu opioid receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 5175-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.087
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50218796
PNG
(CHEMBL557978 | OXYMORPHINDOLE CHLORIDE | oxymorphi...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O
Show InChI InChI=1S/C23H22N2O3/c1-25-9-8-22-18-12-6-7-16(26)20(18)28-21(22)19-14(11-23(22,27)17(25)10-12)13-4-2-3-5-15(13)24-19/h2-7,17,21,24,26-27H,8-11H2,1H3/t17-,21+,22+,23-/m1/s1
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515n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5175-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.087
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50218793
PNG
((1R,13S,14R)-20-methoxy-24-methyl-4,24-diazahexacy...)
Show SMILES COc1c(O)ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c12
Show InChI InChI=1S/C24H26N2O3/c1-26-10-9-23-13-18-16(15-5-3-4-6-17(15)25-18)12-24(23,28)20(26)11-14-7-8-19(27)22(29-2)21(14)23/h3-8,20,25,27-28H,9-13H2,1-2H3/t20-,23-,24-/m1/s1
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582n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5175-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.087
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50218792
PNG
((1R,13S,14R)-24-(cyclopropylmethyl)-19,20-dimethox...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1OC
Show InChI InChI=1S/C28H32N2O3/c1-32-23-10-9-18-13-24-28(31)14-20-19-5-3-4-6-21(19)29-22(20)15-27(28,25(18)26(23)33-2)11-12-30(24)16-17-7-8-17/h3-6,9-10,17,24,29,31H,7-8,11-16H2,1-2H3/t24-,27-,28-/m1/s1
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1.44E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5175-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.087
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50218792
PNG
((1R,13S,14R)-24-(cyclopropylmethyl)-19,20-dimethox...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1OC
Show InChI InChI=1S/C28H32N2O3/c1-32-23-10-9-18-13-24-28(31)14-20-19-5-3-4-6-21(19)29-22(20)15-27(28,25(18)26(23)33-2)11-12-30(24)16-17-7-8-17/h3-6,9-10,17,24,29,31H,7-8,11-16H2,1-2H3/t24-,27-,28-/m1/s1
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1.72E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat recombinant mu opioid receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 5175-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.087
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50218794
PNG
((1R,13S,14R)-19,20-dimethoxy-24-methyl-4,24-diazah...)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1OC
Show InChI InChI=1S/C25H28N2O3/c1-27-11-10-24-14-19-17(16-6-4-5-7-18(16)26-19)13-25(24,28)21(27)12-15-8-9-20(29-2)23(30-3)22(15)24/h4-9,21,26,28H,10-14H2,1-3H3/t21-,24-,25-/m1/s1
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>7.00E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5175-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.087
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50218794
PNG
((1R,13S,14R)-19,20-dimethoxy-24-methyl-4,24-diazah...)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1OC
Show InChI InChI=1S/C25H28N2O3/c1-27-11-10-24-14-19-17(16-6-4-5-7-18(16)26-19)13-25(24,28)21(27)12-15-8-9-20(29-2)23(30-3)22(15)24/h4-9,21,26,28H,10-14H2,1-3H3/t21-,24-,25-/m1/s1
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7.59E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat recombinant mu opioid receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 5175-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.087
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%