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PubMed code 10565829

Compile data set for download or QSAR
Found 17 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
Mu-type opioid receptor


(MOUSE)
BDBM85541
PNG
(BU 95 | BU-95)
Show SMILES COC12C=C[C@]3(C4[C@@H](O)C(C)(C)CC14)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |c:3,THB:6:5:32.15.16:25.27.26|
Show InChI InChI=1S/C28H35NO4/c1-25(2)13-17-21(23(25)31)26-8-9-28(17,32-3)24-27(26)10-11-29(14-15-4-5-15)19(26)12-16-6-7-18(30)22(33-24)20(16)27/h6-9,15,17,19,21,23-24,30-31H,4-5,10-14H2,1-3H3/t17?,19-,21?,23-,24-,26-,27+,28?/m1/s1
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0.480n/an/an/an/an/an/an/an/a



Loughborough University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1093-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.005
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM85538
PNG
(BU 61 | BU-61)
Show SMILES COC12C=C[C@]3(C4C1CC[C@]4(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |c:3,THB:6:5:31.14.15:24.26.25|
Show InChI InChI=1S/C27H33NO4/c1-24(30)8-7-17-22(24)25-9-10-27(17,31-2)23-26(25)11-12-28(14-15-3-4-15)19(25)13-16-5-6-18(29)21(32-23)20(16)26/h5-6,9-10,15,17,19,22-23,29-30H,3-4,7-8,11-14H2,1-2H3/t17?,19-,22?,23-,24+,25-,26+,27?/m1/s1
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0.550n/an/an/an/an/an/an/an/a



Loughborough University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1093-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.005
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50028147
PNG
(2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(14R)...)
Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |THB:8:7:25.24:4.3|
Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26-,27-,28+,29+/m1/s1
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0.570n/an/an/an/an/an/an/an/a



Loughborough University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1093-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.005
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM85537
PNG
(BU 46 | BU-46)
Show SMILES COC12C=C[C@]3(C4[C@H](O)CCC14)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |c:3,THB:6:5:30.13.14:23.25.24|
Show InChI InChI=1S/C26H31NO4/c1-30-26-9-8-24(21-16(26)5-7-17(21)28)19-12-15-4-6-18(29)22-20(15)25(24,23(26)31-22)10-11-27(19)13-14-2-3-14/h4,6,8-9,14,16-17,19,21,23,28-29H,2-3,5,7,10-13H2,1H3/t16?,17-,19-,21?,23-,24-,25+,26?/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Loughborough University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1093-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.005
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM85539
PNG
(BU 47 | BU-47)
Show SMILES COC12C=C[C@]3(C4[C@@H](O)CCC14)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |c:3,THB:6:5:30.13.14:23.25.24|
Show InChI InChI=1S/C26H31NO4/c1-30-26-9-8-24(21-16(26)5-7-17(21)28)19-12-15-4-6-18(29)22-20(15)25(24,23(26)31-22)10-11-27(19)13-14-2-3-14/h4,6,8-9,14,16-17,19,21,23,28-29H,2-3,5,7,10-13H2,1H3/t16?,17-,19+,21?,23+,24+,25-,26?/m0/s1
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0.880n/an/an/an/an/an/an/an/a



Loughborough University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1093-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.005
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM85537
PNG
(BU 46 | BU-46)
Show SMILES COC12C=C[C@]3(C4[C@H](O)CCC14)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |c:3,THB:6:5:30.13.14:23.25.24|
Show InChI InChI=1S/C26H31NO4/c1-30-26-9-8-24(21-16(26)5-7-17(21)28)19-12-15-4-6-18(29)22-20(15)25(24,23(26)31-22)10-11-27(19)13-14-2-3-14/h4,6,8-9,14,16-17,19,21,23,28-29H,2-3,5,7,10-13H2,1H3/t16?,17-,19-,21?,23-,24-,25+,26?/m1/s1
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1.02n/an/an/an/an/an/an/an/a



Loughborough University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1093-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.005
More data for this
Ligand-Target Pair
OPRD1


(GUINEA PIG)
BDBM50028147
PNG
(2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(14R)...)
Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |THB:8:7:25.24:4.3|
Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26-,27-,28+,29+/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Loughborough University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1093-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.005
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM85540
PNG
(BU 96 | BU-96)
Show SMILES COC12C=C[C@]3(C4[C@H](O)C(C)(C)CC14)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |c:3,THB:6:5:32.15.16:25.27.26|
Show InChI InChI=1S/C28H35NO4/c1-25(2)13-17-21(23(25)31)26-8-9-28(17,32-3)24-27(26)10-11-29(14-15-4-5-15)19(26)12-16-6-7-18(30)22(33-24)20(16)27/h6-9,15,17,19,21,23-24,30-31H,4-5,10-14H2,1-3H3/t17?,19-,21?,23+,24-,26-,27+,28?/m1/s1
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1.31n/an/an/an/an/an/an/an/a



Loughborough University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1093-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.005
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM85541
PNG
(BU 95 | BU-95)
Show SMILES COC12C=C[C@]3(C4[C@@H](O)C(C)(C)CC14)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |c:3,THB:6:5:32.15.16:25.27.26|
Show InChI InChI=1S/C28H35NO4/c1-25(2)13-17-21(23(25)31)26-8-9-28(17,32-3)24-27(26)10-11-29(14-15-4-5-15)19(26)12-16-6-7-18(30)22(33-24)20(16)27/h6-9,15,17,19,21,23-24,30-31H,4-5,10-14H2,1-3H3/t17?,19-,21?,23-,24-,26-,27+,28?/m1/s1
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1.41n/an/an/an/an/an/an/an/a



Loughborough University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1093-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.005
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM85539
PNG
(BU 47 | BU-47)
Show SMILES COC12C=C[C@]3(C4[C@@H](O)CCC14)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |c:3,THB:6:5:30.13.14:23.25.24|
Show InChI InChI=1S/C26H31NO4/c1-30-26-9-8-24(21-16(26)5-7-17(21)28)19-12-15-4-6-18(29)22-20(15)25(24,23(26)31-22)10-11-27(19)13-14-2-3-14/h4,6,8-9,14,16-17,19,21,23,28-29H,2-3,5,7,10-13H2,1H3/t16?,17-,19+,21?,23+,24+,25-,26?/m0/s1
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1.45n/an/an/an/an/an/an/an/a



Loughborough University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1093-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.005
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM85540
PNG
(BU 96 | BU-96)
Show SMILES COC12C=C[C@]3(C4[C@H](O)C(C)(C)CC14)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |c:3,THB:6:5:32.15.16:25.27.26|
Show InChI InChI=1S/C28H35NO4/c1-25(2)13-17-21(23(25)31)26-8-9-28(17,32-3)24-27(26)10-11-29(14-15-4-5-15)19(26)12-16-6-7-18(30)22(33-24)20(16)27/h6-9,15,17,19,21,23-24,30-31H,4-5,10-14H2,1-3H3/t17?,19-,21?,23+,24-,26-,27+,28?/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Loughborough University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1093-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.005
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM85538
PNG
(BU 61 | BU-61)
Show SMILES COC12C=C[C@]3(C4C1CC[C@]4(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |c:3,THB:6:5:31.14.15:24.26.25|
Show InChI InChI=1S/C27H33NO4/c1-24(30)8-7-17-22(24)25-9-10-27(17,31-2)23-26(25)11-12-28(14-15-3-4-15)19(25)13-16-5-6-18(29)21(32-23)20(16)26/h5-6,9-10,15,17,19,22-23,29-30H,3-4,7-8,11-14H2,1-2H3/t17?,19-,22?,23-,24+,25-,26+,27?/m1/s1
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1.78n/an/an/an/an/an/an/an/a



Loughborough University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1093-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.005
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM85538
PNG
(BU 61 | BU-61)
Show SMILES COC12C=C[C@]3(C4C1CC[C@]4(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |c:3,THB:6:5:31.14.15:24.26.25|
Show InChI InChI=1S/C27H33NO4/c1-24(30)8-7-17-22(24)25-9-10-27(17,31-2)23-26(25)11-12-28(14-15-3-4-15)19(25)13-16-5-6-18(29)21(32-23)20(16)26/h5-6,9-10,15,17,19,22-23,29-30H,3-4,7-8,11-14H2,1-2H3/t17?,19-,22?,23-,24+,25-,26+,27?/m1/s1
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1.79n/an/an/an/an/an/an/an/a



Loughborough University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1093-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.005
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50028147
PNG
(2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(14R)...)
Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |THB:8:7:25.24:4.3|
Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26-,27-,28+,29+/m1/s1
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2n/an/an/an/an/an/an/an/a



Loughborough University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1093-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.005
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM85539
PNG
(BU 47 | BU-47)
Show SMILES COC12C=C[C@]3(C4[C@@H](O)CCC14)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |c:3,THB:6:5:30.13.14:23.25.24|
Show InChI InChI=1S/C26H31NO4/c1-30-26-9-8-24(21-16(26)5-7-17(21)28)19-12-15-4-6-18(29)22-20(15)25(24,23(26)31-22)10-11-27(19)13-14-2-3-14/h4,6,8-9,14,16-17,19,21,23,28-29H,2-3,5,7,10-13H2,1H3/t16?,17-,19+,21?,23+,24+,25-,26?/m0/s1
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2.75n/an/an/an/an/an/an/an/a



Loughborough University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1093-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.005
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM85540
PNG
(BU 96 | BU-96)
Show SMILES COC12C=C[C@]3(C4[C@H](O)C(C)(C)CC14)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |c:3,THB:6:5:32.15.16:25.27.26|
Show InChI InChI=1S/C28H35NO4/c1-25(2)13-17-21(23(25)31)26-8-9-28(17,32-3)24-27(26)10-11-29(14-15-4-5-15)19(26)12-16-6-7-18(30)22(33-24)20(16)27/h6-9,15,17,19,21,23-24,30-31H,4-5,10-14H2,1-3H3/t17?,19-,21?,23+,24-,26-,27+,28?/m1/s1
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2.99n/an/an/an/an/an/an/an/a



Loughborough University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1093-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.005
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM85541
PNG
(BU 95 | BU-95)
Show SMILES COC12C=C[C@]3(C4[C@@H](O)C(C)(C)CC14)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |c:3,THB:6:5:32.15.16:25.27.26|
Show InChI InChI=1S/C28H35NO4/c1-25(2)13-17-21(23(25)31)26-8-9-28(17,32-3)24-27(26)10-11-29(14-15-4-5-15)19(26)12-16-6-7-18(30)22(33-24)20(16)27/h6-9,15,17,19,21,23-24,30-31H,4-5,10-14H2,1-3H3/t17?,19-,21?,23-,24-,26-,27+,28?/m1/s1
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3.20n/an/an/an/an/an/an/an/a



Loughborough University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 291: 1093-9 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.005
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%