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Compile Data Set for Download or QSAR

Found 43 hits with Last Name = 'hopkins' and Initial = 'p'   
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50451823
PNG
(CHEMBL2112840)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CCC14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |c:23,THB:3:4:17:9.15.14,10:9:17:4.5.6|
Show InChI InChI=1S/C26H31NO9/c28-15-5-3-12-9-14-13-4-6-16(34-25-20(31)18(29)19(30)22(36-25)24(32)33)23-26(13,17(12)21(15)35-23)7-8-27(14)10-11-1-2-11/h3-6,11,13-14,16,18-20,22-23,25,28-31H,1-2,7-10H2,(H,32,33)/t13-,14+,16-,18-,19-,20-,22+,23-,25+,26?/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50125686
PNG
(2-[10-hydroxy-4-methyl-(5R,13R,14S,17R)-12-oxa-4-a...)
Show SMILES CC1OC(O[C@H]2C=C[C@H]3[C@H]4Cc5ccc(O)c6O[C@@H]2C3(CCN4C)c56)C(O)C(O)C1O |c:6,TLB:23:22:8:24.11.10|
Show InChI InChI=1S/C23H29NO7/c1-10-17(26)18(27)19(28)22(29-10)30-15-6-4-12-13-9-11-3-5-14(25)20-16(11)23(12,21(15)31-20)7-8-24(13)2/h3-6,10,12-13,15,17-19,21-22,25-28H,7-9H2,1-2H3/t10?,12-,13+,15-,17?,18?,19?,21-,22?,23?/m0/s1
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0.170n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL


Assay Description
mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.


Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50451820
PNG
(CHEMBL3085267)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |c:21,TLB:10:9:16:4.5.6|
Show InChI InChI=1S/C25H29NO9/c1-2-8-26-9-7-25-12-4-6-15(33-24-19(30)17(28)18(29)21(35-24)23(31)32)22(25)34-20-14(27)5-3-11(16(20)25)10-13(12)26/h2-6,12-13,15,17-19,21-22,24,27-30H,1,7-10H2,(H,31,32)/t12-,13+,15-,17-,18-,19-,21+,22-,24+,25-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL


Assay Description
mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.


Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50451826
PNG
(CHEMBL2112797)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CCC14[C@@]5([H])CC[C@@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)ccc3O |THB:3:4:14:9.12.11,10:9:14:4.5.6|
Show InChI InChI=1S/C23H31NO8/c1-24-7-6-23-11-3-5-14(30-22-19(29)18(28)17(27)15(9-25)31-22)21(23)32-20-13(26)4-2-10(16(20)23)8-12(11)24/h2,4,11-12,14-15,17-19,21-22,25-29H,3,5-9H2,1H3/t11-,12+,14-,15-,17+,18-,19-,21-,22+,23?/m0/s1
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0.210n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL


Assay Description
mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.


Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50451822
PNG
(CHEMBL2112839)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CCC14[C@@]5([H])CC[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |THB:10:9:14:4.5.6,3:4:14:9.12.11|
Show InChI InChI=1S/C23H29NO9/c1-24-7-6-23-10-3-5-13(31-22-17(28)15(26)16(27)19(33-22)21(29)30)20(23)32-18-12(25)4-2-9(14(18)23)8-11(10)24/h2,4,10-11,13,15-17,19-20,22,25-28H,3,5-8H2,1H3,(H,29,30)/t10-,11+,13-,15-,16-,17-,19+,20-,22+,23?/m0/s1
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0.25n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50451819
PNG
(CHEMBL2079659)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@@H]2OC1OC(CO)[C@H](O)C(O)C1O)ccc3O |c:19,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C23H29NO8/c1-24-7-6-23-11-3-5-14(30-22-19(29)18(28)17(27)15(9-25)31-22)21(23)32-20-13(26)4-2-10(16(20)23)8-12(11)24/h2-5,11-12,14-15,17-19,21-22,25-29H,6-9H2,1H3/t11-,12+,14-,15?,17-,18?,19?,21-,22?,23-/m0/s1
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0.280n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL


Assay Description
mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.


Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50125690
PNG
(6-[10-hydroxy-4-methyl-(5R,13R,14S,17R)-12-oxa-4-a...)
Show SMILES CN1CCC23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OC1CCCC(O1)C(O)=O)ccc5O |c:16,THB:0:1:12:8.9.10|
Show InChI InChI=1S/C23H27NO6/c1-24-10-9-23-13-6-8-16(28-18-4-2-3-17(29-18)22(26)27)21(23)30-20-15(25)7-5-12(19(20)23)11-14(13)24/h5-8,13-14,16-18,21,25H,2-4,9-11H2,1H3,(H,26,27)/t13-,14+,16-,17?,18?,21-,23?/m0/s1
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0.510n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL


Assay Description
mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.


Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50125687
PNG
(2-[14-(6-carboxy-3,4,5-trihydroxytetrahydro-2H-2-p...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@@H](C[C@H](O)[C@@H]1O)C(O)=O)ccc3O |c:19,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C23H27NO8/c1-24-7-6-23-11-3-5-15(30-22-18(27)14(26)9-16(31-22)21(28)29)20(23)32-19-13(25)4-2-10(17(19)23)8-12(11)24/h2-5,11-12,14-16,18,20,22,25-27H,6-9H2,1H3,(H,28,29)/t11-,12+,14-,15-,16-,18-,20-,22+,23-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL


Assay Description
mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.


Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (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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0.780n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL


Assay Description
mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.


Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50125689
PNG
(6-[4-allyl-10-hydroxy-(5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])NCC[C@@]14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |c:18|
Show InChI InChI=1S/C22H25NO9/c24-11-3-1-8-7-10-9-2-4-12(19-22(9,5-6-23-10)13(8)17(11)31-19)30-21-16(27)14(25)15(26)18(32-21)20(28)29/h1-4,9-10,12,14-16,18-19,21,23-27H,5-7H2,(H,28,29)/t9-,10+,12-,14-,15-,16-,18+,19-,21+,22-/m0/s1
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0.980n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL


Assay Description
mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.


Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50451824
PNG
(CHEMBL2092968)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CCC14[C@@]5([H])C=C[C@@H]2OC1OC(CO)[C@H](O)C(O)C1O)ccc3O |c:19,THB:3:4:14:9.12.11,10:9:14:4.5.6|
Show InChI InChI=1S/C23H29NO8/c1-24-7-6-23-11-3-5-14(30-22-19(29)18(28)17(27)15(9-25)31-22)21(23)32-20-13(26)4-2-10(16(20)23)8-12(11)24/h2-5,11-12,14-15,17-19,21-22,25-29H,6-9H2,1H3/t11-,12+,14-,15?,17-,18?,19?,21-,22?,23?/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50125680
PNG
(3,4-dihydroxy-2-[10-hydroxy-4-methyl-(5R,13R,14S,1...)
Show SMILES CN1CCC23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OC1OC(=CC(O)C1O)C(O)=O)ccc5O |c:16,23,THB:0:1:12:8.9.10|
Show InChI InChI=1S/C23H25NO8/c1-24-7-6-23-11-3-5-15(30-22-18(27)14(26)9-16(31-22)21(28)29)20(23)32-19-13(25)4-2-10(17(19)23)8-12(11)24/h2-5,9,11-12,14-15,18,20,22,25-27H,6-8H2,1H3,(H,28,29)/t11-,12+,14?,15-,18?,20-,22?,23?/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL


Assay Description
mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.


Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50370478
PNG
(MORPHINE-6-GLUCURONIDE | Morphine 6-Glucuronide(Mi...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)ccc5O |r,c:16|
Show InChI InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-5-13(31-22-17(28)15(26)16(27)19(33-22)21(29)30)20(23)32-18-12(25)4-2-9(14(18)23)8-11(10)24/h2-5,10-11,13,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,13-,15-,16-,17+,19-,20-,22+,23-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL


Assay Description
mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.


Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50451825
PNG
(CHEMBL2113393)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CCC14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O)ccc3O |r,c:19,THB:3:4:14:9.12.11,10:9:14:4.5.6|
Show InChI InChI=1S/C22H25NO8/c1-23-7-6-22-10-3-5-13(29-21-16(26)15(25)18(31-21)20(27)28)19(22)30-17-12(24)4-2-9(14(17)22)8-11(10)23/h2-5,10-11,13,15-16,18-19,21,24-26H,6-8H2,1H3,(H,27,28)/t10-,11+,13-,15-,16+,18-,19-,21+,22?/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL


Assay Description
mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.


Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50125692
PNG
(3,4,5-trihydroxy-6-[10-hydroxy-(5R,13R,14S,17R)-12...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@@H]2OC1O[C@H](CC(O)C1O)C(O)=O)ccc3O |c:19,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C23H27NO8/c1-24-7-6-23-11-3-5-15(30-22-18(27)14(26)9-16(31-22)21(28)29)20(23)32-19-13(25)4-2-10(17(19)23)8-12(11)24/h2-5,11-12,14-16,18,20,22,25-27H,6-9H2,1H3,(H,28,29)/t11-,12+,14?,15-,16+,18?,20-,22?,23-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL


Assay Description
mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.


Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50451826
PNG
(CHEMBL2112797)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CCC14[C@@]5([H])CC[C@@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)ccc3O |THB:3:4:14:9.12.11,10:9:14:4.5.6|
Show InChI InChI=1S/C23H31NO8/c1-24-7-6-23-11-3-5-14(30-22-19(29)18(28)17(27)15(9-25)31-22)21(23)32-20-13(26)4-2-10(16(20)23)8-12(11)24/h2,4,11-12,14-15,17-19,21-22,25-29H,3,5-9H2,1H3/t11-,12+,14-,15-,17+,18-,19-,21-,22+,23?/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL


Assay Description
mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.


Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50125688
PNG
(3-hydroxy-6-[10-hydroxy-4-methyl-(5R,13R,14S,17R)-...)
Show SMILES CN1CCC23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OC1OC(C(O)C=C1)C(O)=O)ccc5O |c:16,26,THB:0:1:12:8.9.10|
Show InChI InChI=1S/C23H25NO7/c1-24-9-8-23-12-3-6-16(29-17-7-5-15(26)20(30-17)22(27)28)21(23)31-19-14(25)4-2-11(18(19)23)10-13(12)24/h2-7,12-13,15-17,20-21,25-26H,8-10H2,1H3,(H,27,28)/t12-,13+,15?,16-,17?,20?,21-,23?/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL


Assay Description
mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.


Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50451819
PNG
(CHEMBL2079659)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@@H]2OC1OC(CO)[C@H](O)C(O)C1O)ccc3O |c:19,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C23H29NO8/c1-24-7-6-23-11-3-5-14(30-22-19(29)18(28)17(27)15(9-25)31-22)21(23)32-20-13(26)4-2-10(16(20)23)8-12(11)24/h2-5,11-12,14-15,17-19,21-22,25-29H,6-9H2,1H3/t11-,12+,14-,15?,17-,18?,19?,21-,22?,23-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50451823
PNG
(CHEMBL2112840)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CCC14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |c:23,THB:3:4:17:9.15.14,10:9:17:4.5.6|
Show InChI InChI=1S/C26H31NO9/c28-15-5-3-12-9-14-13-4-6-16(34-25-20(31)18(29)19(30)22(36-25)24(32)33)23-26(13,17(12)21(15)35-23)7-8-27(14)10-11-1-2-11/h3-6,11,13-14,16,18-20,22-23,25,28-31H,1-2,7-10H2,(H,32,33)/t13-,14+,16-,18-,19-,20-,22+,23-,25+,26?/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL


Assay Description
mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.


Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50451824
PNG
(CHEMBL2092968)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CCC14[C@@]5([H])C=C[C@@H]2OC1OC(CO)[C@H](O)C(O)C1O)ccc3O |c:19,THB:3:4:14:9.12.11,10:9:14:4.5.6|
Show InChI InChI=1S/C23H29NO8/c1-24-7-6-23-11-3-5-14(30-22-19(29)18(28)17(27)15(9-25)31-22)21(23)32-20-13(26)4-2-10(16(20)23)8-12(11)24/h2-5,11-12,14-15,17-19,21-22,25-29H,6-9H2,1H3/t11-,12+,14-,15?,17-,18?,19?,21-,22?,23?/m0/s1
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4.80n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL


Assay Description
mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.


Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (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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4.80n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50451822
PNG
(CHEMBL2112839)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CCC14[C@@]5([H])CC[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |THB:10:9:14:4.5.6,3:4:14:9.12.11|
Show InChI InChI=1S/C23H29NO9/c1-24-7-6-23-10-3-5-13(31-22-17(28)15(26)16(27)19(33-22)21(29)30)20(23)32-18-12(25)4-2-9(14(18)23)8-11(10)24/h2,4,10-11,13,15-17,19-20,22,25-28H,3,5-8H2,1H3,(H,29,30)/t10-,11+,13-,15-,16-,17-,19+,20-,22+,23?/m0/s1
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5.70n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL


Assay Description
mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.


Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50125686
PNG
(2-[10-hydroxy-4-methyl-(5R,13R,14S,17R)-12-oxa-4-a...)
Show SMILES CC1OC(O[C@H]2C=C[C@H]3[C@H]4Cc5ccc(O)c6O[C@@H]2C3(CCN4C)c56)C(O)C(O)C1O |c:6,TLB:23:22:8:24.11.10|
Show InChI InChI=1S/C23H29NO7/c1-10-17(26)18(27)19(28)22(29-10)30-15-6-4-12-13-9-11-3-5-14(25)20-16(11)23(12,21(15)31-20)7-8-24(13)2/h3-6,10,12-13,15,17-19,21-22,25-28H,7-9H2,1-2H3/t10?,12-,13+,15-,17?,18?,19?,21-,22?,23?/m0/s1
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6.20n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL


Assay Description
mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.


Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50023054
PNG
(CHEMBL291091 | {1-[1-(1-{2-[1-(1-Carbamoyl-2-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)C(F)(F)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H60F2N6O8/c1-28(2)23-33(38(55)46(47,48)43(60)53-35(24-29(3)4)40(57)51-34(39(49)56)25-30-17-11-8-12-18-30)50-41(58)36(26-31-19-13-9-14-20-31)52-42(59)37(27-32-21-15-10-16-22-32)54-44(61)62-45(5,6)7/h8-22,28-29,33-37H,23-27H2,1-7H3,(H2,49,56)(H,50,58)(H,51,57)(H,52,59)(H,53,60)(H,54,61)/t33-,34-,35-,36-,37-/m0/s1
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7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human kidney renin


J Med Chem 30: 1617-22 (1987)


BindingDB Entry DOI: 10.7270/Q2RB73KD
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50451820
PNG
(CHEMBL3085267)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |c:21,TLB:10:9:16:4.5.6|
Show InChI InChI=1S/C25H29NO9/c1-2-8-26-9-7-25-12-4-6-15(33-24-19(30)17(28)18(29)21(35-24)23(31)32)22(25)34-20-14(27)5-3-11(16(20)25)10-13(12)26/h2-6,12-13,15,17-19,21-22,24,27-30H,1,7-10H2,(H,31,32)/t12-,13+,15-,17-,18-,19-,21+,22-,24+,25-/m0/s1
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10n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL


Assay Description
mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.


Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50370478
PNG
(MORPHINE-6-GLUCURONIDE | Morphine 6-Glucuronide(Mi...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)ccc5O |r,c:16|
Show InChI InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-5-13(31-22-17(28)15(26)16(27)19(33-22)21(29)30)20(23)32-18-12(25)4-2-9(14(18)23)8-11(10)24/h2-5,10-11,13,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,13-,15-,16-,17+,19-,20-,22+,23-/m0/s1
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26n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50451821
PNG
(CHEMBL3085275)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(O)=O)CC[C@@]14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |c:22,TLB:10:9:17:4.5.6|
Show InChI InChI=1S/C24H27NO11/c26-12-3-1-9-7-11-10-2-4-13(34-23-18(31)16(29)17(30)20(36-23)22(32)33)21-24(10,15(9)19(12)35-21)5-6-25(11)8-14(27)28/h1-4,10-11,13,16-18,20-21,23,26,29-31H,5-8H2,(H,27,28)(H,32,33)/t10-,11+,13-,16-,17-,18-,20+,21-,23+,24-/m0/s1
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33n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL


Assay Description
mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.


Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50125689
PNG
(6-[4-allyl-10-hydroxy-(5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])NCC[C@@]14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |c:18|
Show InChI InChI=1S/C22H25NO9/c24-11-3-1-8-7-10-9-2-4-12(19-22(9,5-6-23-10)13(8)17(11)31-19)30-21-16(27)14(25)15(26)18(32-21)20(28)29/h1-4,9-10,12,14-16,18-19,21,23-27H,5-7H2,(H,28,29)/t9-,10+,12-,14-,15-,16-,18+,19-,21+,22-/m0/s1
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37n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL


Assay Description
mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.


Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50451825
PNG
(CHEMBL2113393)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CCC14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O)ccc3O |r,c:19,THB:3:4:14:9.12.11,10:9:14:4.5.6|
Show InChI InChI=1S/C22H25NO8/c1-23-7-6-22-10-3-5-13(29-21-16(26)15(25)18(31-21)20(27)28)19(22)30-17-12(24)4-2-9(14(17)22)8-11(10)23/h2-5,10-11,13,15-16,18-19,21,24-26H,6-8H2,1H3,(H,27,28)/t10-,11+,13-,15-,16+,18-,19-,21+,22?/m0/s1
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44n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL


Assay Description
mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.


Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50125680
PNG
(3,4-dihydroxy-2-[10-hydroxy-4-methyl-(5R,13R,14S,1...)
Show SMILES CN1CCC23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OC1OC(=CC(O)C1O)C(O)=O)ccc5O |c:16,23,THB:0:1:12:8.9.10|
Show InChI InChI=1S/C23H25NO8/c1-24-7-6-23-11-3-5-15(30-22-18(27)14(26)9-16(31-22)21(28)29)20(23)32-19-13(25)4-2-10(17(19)23)8-12(11)24/h2-5,9,11-12,14-15,18,20,22,25-27H,6-8H2,1H3,(H,28,29)/t11-,12+,14?,15-,18?,20-,22?,23?/m0/s1
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48n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL


Assay Description
mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.


Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50023050
PNG
(CHEMBL40928 | {1-[1-(1-{2-[1-(1-Carbamoyl-2-phenyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H64N6O8/c1-29(2)23-34(39(53)28-40(54)48-36(24-30(3)4)42(56)50-35(41(47)55)25-31-17-11-8-12-18-31)49-43(57)37(26-32-19-13-9-14-20-32)51-44(58)38(27-33-21-15-10-16-22-33)52-45(59)60-46(5,6)7/h8-22,29-30,34-39,53H,23-28H2,1-7H3,(H2,47,55)(H,48,54)(H,49,57)(H,50,56)(H,51,58)(H,52,59)/t34-,35-,36-,37-,38-,39-/m0/s1
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52n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human kidney renin


J Med Chem 30: 1617-22 (1987)


BindingDB Entry DOI: 10.7270/Q2RB73KD
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50125692
PNG
(3,4,5-trihydroxy-6-[10-hydroxy-(5R,13R,14S,17R)-12...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@@H]2OC1O[C@H](CC(O)C1O)C(O)=O)ccc3O |c:19,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C23H27NO8/c1-24-7-6-23-11-3-5-15(30-22-18(27)14(26)9-16(31-22)21(28)29)20(23)32-19-13(25)4-2-10(17(19)23)8-12(11)24/h2-5,11-12,14-16,18,20,22,25-27H,6-9H2,1H3,(H,28,29)/t11-,12+,14?,15-,16+,18?,20-,22?,23-/m0/s1
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UniChem
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57n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL


Assay Description
mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.


Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50125684
PNG
(3,4,5-trihydroxy-6-[10-methoxy-4-methyl-(5R,13R,14...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3OC |c:19,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C24H29NO9/c1-25-8-7-24-11-4-6-14(32-23-18(28)16(26)17(27)20(34-23)22(29)30)21(24)33-19-13(31-2)5-3-10(15(19)24)9-12(11)25/h3-6,11-12,14,16-18,20-21,23,26-28H,7-9H2,1-2H3,(H,29,30)/t11-,12+,14-,16-,17-,18-,20+,21-,23+,24-/m0/s1
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85n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL


Assay Description
mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.


Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50023053
PNG
(CHEMBL44075 | {1-[1-(1-{2-[1-(1-Carbamoyl-2-phenyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)C(F)(F)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H62F2N6O8/c1-28(2)23-33(38(55)46(47,48)43(60)53-35(24-29(3)4)40(57)51-34(39(49)56)25-30-17-11-8-12-18-30)50-41(58)36(26-31-19-13-9-14-20-31)52-42(59)37(27-32-21-15-10-16-22-32)54-44(61)62-45(5,6)7/h8-22,28-29,33-38,55H,23-27H2,1-7H3,(H2,49,56)(H,50,58)(H,51,57)(H,52,59)(H,53,60)(H,54,61)/t33-,34-,35-,36-,37-,38+/m0/s1
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120n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human kidney renin


J Med Chem 30: 1617-22 (1987)


BindingDB Entry DOI: 10.7270/Q2RB73KD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50023051
PNG
(CHEMBL40514 | {1-[1-(1-{2-[1-(1-Carbamoyl-2-phenyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H62N6O8/c1-29(2)23-34(39(53)28-40(54)48-36(24-30(3)4)42(56)50-35(41(47)55)25-31-17-11-8-12-18-31)49-43(57)37(26-32-19-13-9-14-20-32)51-44(58)38(27-33-21-15-10-16-22-33)52-45(59)60-46(5,6)7/h8-22,29-30,34-38H,23-28H2,1-7H3,(H2,47,55)(H,48,54)(H,49,57)(H,50,56)(H,51,58)(H,52,59)/t34-,35-,36-,37-,38-/m0/s1
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154n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human kidney renin


J Med Chem 30: 1617-22 (1987)


BindingDB Entry DOI: 10.7270/Q2RB73KD
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50125690
PNG
(6-[10-hydroxy-4-methyl-(5R,13R,14S,17R)-12-oxa-4-a...)
Show SMILES CN1CCC23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OC1CCCC(O1)C(O)=O)ccc5O |c:16,THB:0:1:12:8.9.10|
Show InChI InChI=1S/C23H27NO6/c1-24-10-9-23-13-6-8-16(28-18-4-2-3-17(29-18)22(26)27)21(23)30-20-15(25)7-5-12(19(20)23)11-14(13)24/h5-8,13-14,16-18,21,25H,2-4,9-11H2,1H3,(H,26,27)/t13-,14+,16-,17?,18?,21-,23?/m0/s1
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168n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL


Assay Description
mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.


Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50125687
PNG
(2-[14-(6-carboxy-3,4,5-trihydroxytetrahydro-2H-2-p...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@@H](C[C@H](O)[C@@H]1O)C(O)=O)ccc3O |c:19,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C23H27NO8/c1-24-7-6-23-11-3-5-15(30-22-18(27)14(26)9-16(31-22)21(28)29)20(23)32-19-13(25)4-2-10(17(19)23)8-12(11)24/h2-5,11-12,14-16,18,20,22,25-27H,6-9H2,1H3,(H,28,29)/t11-,12+,14-,15-,16-,18-,20-,22+,23-/m0/s1
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172n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL


Assay Description
mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.


Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50125688
PNG
(3-hydroxy-6-[10-hydroxy-4-methyl-(5R,13R,14S,17R)-...)
Show SMILES CN1CCC23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OC1OC(C(O)C=C1)C(O)=O)ccc5O |c:16,26,THB:0:1:12:8.9.10|
Show InChI InChI=1S/C23H25NO7/c1-24-9-8-23-12-3-6-16(29-17-7-5-15(26)20(30-17)22(27)28)21(23)31-19-14(25)4-2-11(18(19)23)10-13(12)24/h2-7,12-13,15-17,20-21,25-26H,8-10H2,1H3,(H,27,28)/t12-,13+,15?,16-,17?,20?,21-,23?/m0/s1
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178n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50023052
PNG
(2-Benzyl-5-{4-[2-(2-tert-butoxycarbonylamino-3-phe...)
Show SMILES COC(=O)[C@H](Cc1ccccc1)\C=C\[C@H](CC(C)C)NC(=O)C(F)(F)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C48H62F2N4O8/c1-31(2)26-37(25-24-36(44(58)61-8)28-33-18-12-9-13-19-33)51-45(59)48(49,50)41(55)38(27-32(3)4)52-42(56)39(29-34-20-14-10-15-21-34)53-43(57)40(30-35-22-16-11-17-23-35)54-46(60)62-47(5,6)7/h9-25,31-32,36-40H,26-30H2,1-8H3,(H,51,59)(H,52,56)(H,53,57)(H,54,60)/b25-24+/t36-,37+,38-,39-,40-/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human kidney renin


J Med Chem 30: 1617-22 (1987)


BindingDB Entry DOI: 10.7270/Q2RB73KD
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50451821
PNG
(CHEMBL3085275)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(O)=O)CC[C@@]14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |c:22,TLB:10:9:17:4.5.6|
Show InChI InChI=1S/C24H27NO11/c26-12-3-1-9-7-11-10-2-4-13(34-23-18(31)16(29)17(30)20(36-23)22(32)33)21-24(10,15(9)19(12)35-21)5-6-25(11)8-14(27)28/h1-4,10-11,13,16-18,20-21,23,26,29-31H,5-8H2,(H,27,28)(H,32,33)/t10-,11+,13-,16-,17-,18-,20+,21-,23+,24-/m0/s1
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1.62E+3n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL


Assay Description
mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.


Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50125684
PNG
(3,4,5-trihydroxy-6-[10-methoxy-4-methyl-(5R,13R,14...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3OC |c:19,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C24H29NO9/c1-25-8-7-24-11-4-6-14(32-23-18(28)16(26)17(27)20(34-23)22(29)30)21(24)33-19-13(31-2)5-3-10(15(19)24)9-12(11)25/h3-6,11-12,14,16-18,20-21,23,26-28H,7-9H2,1-2H3,(H,29,30)/t11-,12+,14-,16-,17-,18-,20+,21-,23+,24-/m0/s1
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5.70E+3n/an/an/an/an/an/an/an/a



Ultrafine UFC Ltd

Curated by ChEMBL


Assay Description
mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.


Bioorg Med Chem Lett 13: 1207-14 (2003)


BindingDB Entry DOI: 10.7270/Q2251JQC
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50023056
PNG
(CHEMBL290282 | [1-Benzyl-4-(1-{2-[1-(1-carbamoyl-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)\C=C\[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)C(F)(F)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H63F2N5O7/c1-30(2)25-37(40(55)47(48,49)44(59)54-39(26-31(3)4)43(58)53-38(41(50)56)29-34-21-15-10-16-22-34)52-42(57)35(27-32-17-11-8-12-18-32)23-24-36(28-33-19-13-9-14-20-33)51-45(60)61-46(5,6)7/h8-24,30-31,35-40,55H,25-29H2,1-7H3,(H2,50,56)(H,51,60)(H,52,57)(H,53,58)(H,54,59)/b24-23+/t35-,36+,37-,38-,39-,40+/m0/s1
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1.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human kidney renin


J Med Chem 30: 1617-22 (1987)


BindingDB Entry DOI: 10.7270/Q2RB73KD
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50023055
PNG
(2-Benzyl-5-{4-[2-(2-tert-butoxycarbonylamino-3-phe...)
Show SMILES COC(=O)[C@H](Cc1ccccc1)\C=C\[C@H](CC(C)C)NC(=O)C(F)(F)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C48H64F2N4O8/c1-31(2)26-37(25-24-36(44(58)61-8)28-33-18-12-9-13-19-33)51-45(59)48(49,50)41(55)38(27-32(3)4)52-42(56)39(29-34-20-14-10-15-21-34)53-43(57)40(30-35-22-16-11-17-23-35)54-46(60)62-47(5,6)7/h9-25,31-32,36-41,55H,26-30H2,1-8H3,(H,51,59)(H,52,56)(H,53,57)(H,54,60)/b25-24+/t36-,37+,38-,39-,40-,41+/m0/s1
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1.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human kidney renin


J Med Chem 30: 1617-22 (1987)


BindingDB Entry DOI: 10.7270/Q2RB73KD
More data for this
Ligand-Target Pair