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86 similar compounds to monomer 50049377

Compile data set for download or QSAR
Wt: 492.5
BDBM10355
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Wt: 455.5
BDBM21123
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Wt: 568.6
BDBM21124
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Wt: 458.4
BDBM50093825
Wt: 568.6
BDBM50452137
Wt: 642.7
BDBM50027505
Wt: 628.7
BDBM50027508
Wt: 656.7
BDBM50027511
Wt: 540.6
BDBM50021202
Wt: 569.6
BDBM50009676
Wt: 767.8
BDBM50009152
Wt: 781.8
BDBM50009183
Wt: 420.5
BDBM50018716
Wt: 406.5
BDBM50018718
Wt: 378.4
BDBM50018719
Displayed 1 to 15 (of 86 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 68 hits for monomerid = 10355,21123,21124,50093825,50452137,50027505,50027508,50027511,50021202,50009676,50009152,50009183,50018716,50018718,50018719   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009152
PNG
(2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H53N9O9/c1-19(2)30(36(54)41-18-29(40)49)46-37(55)31(20(3)4)45-35(53)27(17-28(39)48)44-34(52)26(16-22-9-7-6-8-10-22)43-32(50)21(5)42-33(51)25(38)15-23-11-13-24(47)14-12-23/h6-14,19-21,25-27,30-31,47H,15-18,38H2,1-5H3,(H2,39,48)(H2,40,49)(H,41,54)(H,42,51)(H,43,50)(H,44,52)(H,45,53)(H,46,55)/t21-,25-,26-,27-,30-,31-/m0/s1
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0.650n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DADLE binding to opioid receptor delta in P2 membrane preparation of rat brain


J Med Chem 34: 1350-5 (1991)


Article DOI: 10.1021/jm00108a017
BindingDB Entry DOI: 10.7270/Q2ZW1MHT
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))
BDBM10355
PNG
((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C23H32N4O8/c1-12(2)20(23(35)24-13(3)21(33)26-16(11-28)10-19(31)32)27-22(34)18(25-14(4)29)9-15-5-7-17(30)8-6-15/h5-8,11-13,16,18,20,30H,9-10H2,1-4H3,(H,24,35)(H,25,29)(H,26,33)(H,27,34)(H,31,32)/t13-,16-,18-,20-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ICE


Bioorg Med Chem Lett 20: 5184-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.004
BindingDB Entry DOI: 10.7270/Q2QZ2B5X
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))
BDBM10355
PNG
((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C23H32N4O8/c1-12(2)20(23(35)24-13(3)21(33)26-16(11-28)10-19(31)32)27-22(34)18(25-14(4)29)9-15-5-7-17(30)8-6-15/h5-8,11-13,16,18,20,30H,9-10H2,1-4H3,(H,24,35)(H,25,29)(H,26,33)(H,27,34)(H,31,32)/t13-,16-,18-,20-/m0/s1
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0.760n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of IL-1 beta converting enzyme in whole human blood.


Bioorg Med Chem Lett 2: 613-618 (1992)


Article DOI: 10.1016/S0960-894X(01)81209-9
BindingDB Entry DOI: 10.7270/Q2V69JH6
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50027508
PNG
(Acetate1-(6-benzyl-3-isobutyl-2,5,8,11-tetraoxo-1,...)
Show SMILES CC(O)=O.CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C29H40N6O6.C2H4O2/c1-17(2)13-23(26(31)38)35-29(41)24(15-19-7-5-4-6-8-19)34-25(37)16-32-27(39)18(3)33-28(40)22(30)14-20-9-11-21(36)12-10-20;1-2(3)4/h4-12,17-18,22-24,36H,13-16,30H2,1-3H3,(H2,31,38)(H,32,39)(H,33,40)(H,34,37)(H,35,41);1H3,(H,3,4)/t18-,22+,23+,24+;/m1./s1
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2.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]naloxone to Opioid receptor mu 1 in the rat brain homogenate


J Med Chem 25: 1432-8 (1983)


Article DOI: 10.1021/jm00354a008
BindingDB Entry DOI: 10.7270/Q2HQ40G9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21124
PNG
((2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C29H40N6O6/c1-17(2)13-23(26(31)38)35-29(41)24(15-19-7-5-4-6-8-19)34-25(37)16-32-27(39)18(3)33-28(40)22(30)14-20-9-11-21(36)12-10-20/h4-12,17-18,22-24,36H,13-16,30H2,1-3H3,(H2,31,38)(H,32,39)(H,33,40)(H,34,37)(H,35,41)/t18-,22+,23+,24+/m1/s1
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2.40 -11.8n/an/an/an/an/a7.425



University of Arizona at Tucson



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...


J Med Chem 50: 5528-32 (2007)


Article DOI: 10.1021/jm061465o
BindingDB Entry DOI: 10.7270/Q2D50K8P
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50027508
PNG
(Acetate1-(6-benzyl-3-isobutyl-2,5,8,11-tetraoxo-1,...)
Show SMILES CC(O)=O.CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C29H40N6O6.C2H4O2/c1-17(2)13-23(26(31)38)35-29(41)24(15-19-7-5-4-6-8-19)34-25(37)16-32-27(39)18(3)33-28(40)22(30)14-20-9-11-21(36)12-10-20;1-2(3)4/h4-12,17-18,22-24,36H,13-16,30H2,1-3H3,(H2,31,38)(H,32,39)(H,33,40)(H,34,37)(H,35,41);1H3,(H,3,4)/t18-,22+,23+,24+;/m1./s1
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2.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]naloxone to Opioid receptor mu 1 in the rat brain homogenate


J Med Chem 25: 1432-8 (1983)


Article DOI: 10.1021/jm00354a008
BindingDB Entry DOI: 10.7270/Q2HQ40G9
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21123
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H29N5O5/c1-14(27-23(33)18(24)11-16-7-9-17(29)10-8-16)22(32)26-13-20(30)28-19(21(25)31)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,30)/t14-,18+,19+/m1/s1
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2.80 -11.7n/an/a 13n/an/a7.425



University of Arizona at Tucson



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...


J Med Chem 50: 5528-32 (2007)


Article DOI: 10.1021/jm061465o
BindingDB Entry DOI: 10.7270/Q2D50K8P
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21123
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H29N5O5/c1-14(27-23(33)18(24)11-16-7-9-17(29)10-8-16)22(32)26-13-20(30)28-19(21(25)31)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,30)/t14-,18+,19+/m1/s1
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2.80n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells


Bioorg Med Chem Lett 20: 4080-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.078
BindingDB Entry DOI: 10.7270/Q2D79CCN
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21123
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H29N5O5/c1-14(27-23(33)18(24)11-16-7-9-17(29)10-8-16)22(32)26-13-20(30)28-19(21(25)31)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,30)/t14-,18+,19+/m1/s1
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2.80n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells


Bioorg Med Chem Lett 20: 4080-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.078
BindingDB Entry DOI: 10.7270/Q2D79CCN
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50027511
PNG
(Acetate1-[1-({[1-(1-carbamoyl-3-methyl-butylcarbam...)
Show SMILES CC(O)=O.CCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C31H44N6O6.C2H4O2/c1-4-8-24(36-29(41)23(32)16-21-11-13-22(38)14-12-21)30(42)34-18-27(39)35-26(17-20-9-6-5-7-10-20)31(43)37-25(28(33)40)15-19(2)3;1-2(3)4/h5-7,9-14,19,23-26,38H,4,8,15-18,32H2,1-3H3,(H2,33,40)(H,34,42)(H,35,39)(H,36,41)(H,37,43);1H3,(H,3,4)/t23-,24+,25-,26-;/m0./s1
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3.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H][D-Ala2,D-Leu5]enkephalin binding to Opioid receptor delta 1 in the rat brain homogenate


J Med Chem 25: 1432-8 (1983)


Article DOI: 10.1021/jm00354a008
BindingDB Entry DOI: 10.7270/Q2HQ40G9
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50027511
PNG
(Acetate1-[1-({[1-(1-carbamoyl-3-methyl-butylcarbam...)
Show SMILES CC(O)=O.CCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C31H44N6O6.C2H4O2/c1-4-8-24(36-29(41)23(32)16-21-11-13-22(38)14-12-21)30(42)34-18-27(39)35-26(17-20-9-6-5-7-10-20)31(43)37-25(28(33)40)15-19(2)3;1-2(3)4/h5-7,9-14,19,23-26,38H,4,8,15-18,32H2,1-3H3,(H2,33,40)(H,34,42)(H,35,39)(H,36,41)(H,37,43);1H3,(H,3,4)/t23-,24+,25-,26-;/m0./s1
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3.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]naloxone to Opioid receptor mu 1 in the rat brain homogenate


J Med Chem 25: 1432-8 (1983)


Article DOI: 10.1021/jm00354a008
BindingDB Entry DOI: 10.7270/Q2HQ40G9
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50027505
PNG
(Acetate1-[1-({[1-(1-carbamoyl-3-methyl-butylcarbam...)
Show SMILES CC(O)=O.CC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C30H42N6O6.C2H4O2/c1-4-23(35-28(40)22(31)15-20-10-12-21(37)13-11-20)29(41)33-17-26(38)34-25(16-19-8-6-5-7-9-19)30(42)36-24(27(32)39)14-18(2)3;1-2(3)4/h5-13,18,22-25,37H,4,14-17,31H2,1-3H3,(H2,32,39)(H,33,41)(H,34,38)(H,35,40)(H,36,42);1H3,(H,3,4)/t22-,23+,24-,25-;/m0./s1
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4.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]naloxone to Opioid receptor mu 1 in the rat brain homogenate


J Med Chem 25: 1432-8 (1983)


Article DOI: 10.1021/jm00354a008
BindingDB Entry DOI: 10.7270/Q2HQ40G9
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50027505
PNG
(Acetate1-[1-({[1-(1-carbamoyl-3-methyl-butylcarbam...)
Show SMILES CC(O)=O.CC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C30H42N6O6.C2H4O2/c1-4-23(35-28(40)22(31)15-20-10-12-21(37)13-11-20)29(41)33-17-26(38)34-25(16-19-8-6-5-7-9-19)30(42)36-24(27(32)39)14-18(2)3;1-2(3)4/h5-13,18,22-25,37H,4,14-17,31H2,1-3H3,(H2,32,39)(H,33,41)(H,34,38)(H,35,40)(H,36,42);1H3,(H,3,4)/t22-,23+,24-,25-;/m0./s1
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5.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]naloxone to Opioid receptor mu 1 in the rat brain homogenate


J Med Chem 25: 1432-8 (1983)


Article DOI: 10.1021/jm00354a008
BindingDB Entry DOI: 10.7270/Q2HQ40G9
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))
BDBM10355
PNG
((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C23H32N4O8/c1-12(2)20(23(35)24-13(3)21(33)26-16(11-28)10-19(31)32)27-22(34)18(25-14(4)29)9-15-5-7-17(30)8-6-15/h5-8,11-13,16,18,20,30H,9-10H2,1-4H3,(H,24,35)(H,25,29)(H,26,33)(H,27,34)(H,31,32)/t13-,16-,18-,20-/m0/s1
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6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards IL-1 beta converting enzyme (ICE)


Bioorg Med Chem Lett 4: 2359-2364 (1994)


Article DOI: 10.1016/0960-894X(94)85040-2
BindingDB Entry DOI: 10.7270/Q2NG4QK5
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21124
PNG
((2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C29H40N6O6/c1-17(2)13-23(26(31)38)35-29(41)24(15-19-7-5-4-6-8-19)34-25(37)16-32-27(39)18(3)33-28(40)22(30)14-20-9-11-21(36)12-10-20/h4-12,17-18,22-24,36H,13-16,30H2,1-3H3,(H2,31,38)(H,32,39)(H,33,40)(H,34,37)(H,35,41)/t18-,22+,23+,24+/m1/s1
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7.70 -11.1n/an/an/an/an/a7.425



University of Arizona at Tucson



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...


J Med Chem 50: 5528-32 (2007)


Article DOI: 10.1021/jm061465o
BindingDB Entry DOI: 10.7270/Q2D50K8P
More data for this
Ligand-Target Pair
Caspase-1


(Mus musculus)
BDBM10355
PNG
((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C23H32N4O8/c1-12(2)20(23(35)24-13(3)21(33)26-16(11-28)10-19(31)32)27-22(34)18(25-14(4)29)9-15-5-7-17(30)8-6-15/h5-8,11-13,16,18,20,30H,9-10H2,1-4H3,(H,24,35)(H,25,29)(H,26,33)(H,27,34)(H,31,32)/t13-,16-,18-,20-/m0/s1
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9n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse ICE


Bioorg Med Chem Lett 20: 5184-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.004
BindingDB Entry DOI: 10.7270/Q2QZ2B5X
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50018719
PNG
(2-Amino-3-(4-hydroxy-phenyl)-N-(1-{[(3-methyl-buty...)
Show SMILES CC(C)CCNC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C19H30N4O4/c1-12(2)8-9-21-17(25)11-22-18(26)13(3)23-19(27)16(20)10-14-4-6-15(24)7-5-14/h4-7,12-13,16,24H,8-11,20H2,1-3H3,(H,21,25)(H,22,26)(H,23,27)/t13-,16+/m1/s1
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10n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAGO binding to mu 1 opioid receptor in rat brain membranes


J Med Chem 31: 374-83 (1988)


Article DOI: 10.1021/jm00397a019
BindingDB Entry DOI: 10.7270/Q21R6R37
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50018716
PNG
(2-Amino-N-[1-({[(1,3-dimethyl-butyl)-ethyl-carbamo...)
Show SMILES CCN(C(C)CC(C)C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C22H36N4O4/c1-6-26(15(4)11-14(2)3)20(28)13-24-21(29)16(5)25-22(30)19(23)12-17-7-9-18(27)10-8-17/h7-10,14-16,19,27H,6,11-13,23H2,1-5H3,(H,24,29)(H,25,30)/t15?,16-,19+/m1/s1
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36n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAGO binding to mu 1 opioid receptor in rat brain membranes


J Med Chem 31: 374-83 (1988)


Article DOI: 10.1021/jm00397a019
BindingDB Entry DOI: 10.7270/Q21R6R37
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50021202
PNG
(2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-N*...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C27H36N6O6/c1-15(2)23(24(30)36)33-27(39)20(13-16-6-4-3-5-7-16)32-26(38)21(14-22(29)35)31-25(37)19(28)12-17-8-10-18(34)11-9-17/h3-11,15,19-21,23,34H,12-14,28H2,1-2H3,(H2,29,35)(H2,30,36)(H,31,37)(H,32,38)(H,33,39)/t19-,20-,21-,23-/m0/s1
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43n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for its ability to displace [3H]DAGO binding to Opioid receptor mu 1 from rat brain homogenate


J Med Chem 28: 1766-71 (1986)


Article DOI: 10.1021/jm00150a005
BindingDB Entry DOI: 10.7270/Q2K9383S
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50018718
PNG
(2-Amino-N-(1-{[(1,3-dimethyl-butylcarbamoyl)-methy...)
Show SMILES CC(C)CC(C)NC(=O)CNC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C21H34N4O4/c1-13(2)10-14(3)24-18(27)12-23-20(29)21(4,5)25-19(28)17(22)11-15-6-8-16(26)9-7-15/h6-9,13-14,17,26H,10-12,22H2,1-5H3,(H,23,29)(H,24,27)(H,25,28)/t14?,17-/m0/s1
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171n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAGO binding to mu 1 opioid receptor in rat brain membranes


J Med Chem 31: 374-83 (1988)


Article DOI: 10.1021/jm00397a019
BindingDB Entry DOI: 10.7270/Q21R6R37
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009152
PNG
(2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H53N9O9/c1-19(2)30(36(54)41-18-29(40)49)46-37(55)31(20(3)4)45-35(53)27(17-28(39)48)44-34(52)26(16-22-9-7-6-8-10-22)43-32(50)21(5)42-33(51)25(38)15-23-11-13-24(47)14-12-23/h6-14,19-21,25-27,30-31,47H,15-18,38H2,1-5H3,(H2,39,48)(H2,40,49)(H,41,54)(H,42,51)(H,43,50)(H,44,52)(H,45,53)(H,46,55)/t21-,25-,26-,27-,30-,31-/m0/s1
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176n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAGO binding to trat brain opioid receptor mu in P2 membrane


J Med Chem 34: 1350-5 (1991)


Article DOI: 10.1021/jm00108a017
BindingDB Entry DOI: 10.7270/Q2ZW1MHT
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21123
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H29N5O5/c1-14(27-23(33)18(24)11-16-7-9-17(29)10-8-16)22(32)26-13-20(30)28-19(21(25)31)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,30)/t14-,18+,19+/m1/s1
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300n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cells


Bioorg Med Chem Lett 20: 4080-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.078
BindingDB Entry DOI: 10.7270/Q2D79CCN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21123
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H29N5O5/c1-14(27-23(33)18(24)11-16-7-9-17(29)10-8-16)22(32)26-13-20(30)28-19(21(25)31)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,30)/t14-,18+,19+/m1/s1
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300 -8.89n/an/a 190n/an/a7.425



University of Arizona at Tucson



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...


J Med Chem 50: 5528-32 (2007)


Article DOI: 10.1021/jm061465o
BindingDB Entry DOI: 10.7270/Q2D50K8P
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50018719
PNG
(2-Amino-3-(4-hydroxy-phenyl)-N-(1-{[(3-methyl-buty...)
Show SMILES CC(C)CCNC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C19H30N4O4/c1-12(2)8-9-21-17(25)11-22-18(26)13(3)23-19(27)16(20)10-14-4-6-15(24)7-5-14/h4-7,12-13,16,24H,8-11,20H2,1-3H3,(H,21,25)(H,22,26)(H,23,27)/t13-,16+/m1/s1
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1.02E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]DSLET binding to delta 1 opioid receptors in rat brain membranes


J Med Chem 31: 374-83 (1988)


Article DOI: 10.1021/jm00397a019
BindingDB Entry DOI: 10.7270/Q21R6R37
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50021202
PNG
(2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-N*...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C27H36N6O6/c1-15(2)23(24(30)36)33-27(39)20(13-16-6-4-3-5-7-16)32-26(38)21(14-22(29)35)31-25(37)19(28)12-17-8-10-18(34)11-9-17/h3-11,15,19-21,23,34H,12-14,28H2,1-2H3,(H2,29,35)(H2,30,36)(H,31,37)(H,32,38)(H,33,39)/t19-,20-,21-,23-/m0/s1
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2.76E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from Opioid receptor delta 1 from rat brain homogenate


J Med Chem 28: 1766-71 (1986)


Article DOI: 10.1021/jm00150a005
BindingDB Entry DOI: 10.7270/Q2K9383S
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50018716
PNG
(2-Amino-N-[1-({[(1,3-dimethyl-butyl)-ethyl-carbamo...)
Show SMILES CCN(C(C)CC(C)C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C22H36N4O4/c1-6-26(15(4)11-14(2)3)20(28)13-24-21(29)16(5)25-22(30)19(23)12-17-7-9-18(27)10-8-17/h7-10,14-16,19,27H,6,11-13,23H2,1-5H3,(H,24,29)(H,25,30)/t15?,16-,19+/m1/s1
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3.45E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]DSLET binding to delta 1 opioid receptors in rat brain membranes


J Med Chem 31: 374-83 (1988)


Article DOI: 10.1021/jm00397a019
BindingDB Entry DOI: 10.7270/Q21R6R37
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50018718
PNG
(2-Amino-N-(1-{[(1,3-dimethyl-butylcarbamoyl)-methy...)
Show SMILES CC(C)CC(C)NC(=O)CNC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C21H34N4O4/c1-13(2)10-14(3)24-18(27)12-23-20(29)21(4,5)25-19(28)17(22)11-15-6-8-16(26)9-7-15/h6-9,13-14,17,26H,10-12,22H2,1-5H3,(H,23,29)(H,24,27)(H,25,28)/t14?,17-/m0/s1
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6.88E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]DSLET binding to delta 1 opioid receptors in rat brain membranes


J Med Chem 31: 374-83 (1988)


Article DOI: 10.1021/jm00397a019
BindingDB Entry DOI: 10.7270/Q21R6R37
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50009676
PNG
(4-Amino-N-{2-[2-(2-{2-[2-amino-3-(4-hydroxy-phenyl...)
Show SMILES NCCCC(=O)NCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C28H39N7O6/c29-12-4-7-24(37)31-13-14-32-28(41)23(16-19-5-2-1-3-6-19)35-26(39)18-33-25(38)17-34-27(40)22(30)15-20-8-10-21(36)11-9-20/h1-3,5-6,8-11,22-23,36H,4,7,12-18,29-30H2,(H,31,37)(H,32,41)(H,33,38)(H,34,40)(H,35,39)/t22-,23-/m0/s1
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1.01E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
The compound was tested for binding activity towards Opioid receptor delta 1 in guinea pig brain membranes.


J Med Chem 34: 2816-21 (1991)


Article DOI: 10.1021/jm00113a020
BindingDB Entry DOI: 10.7270/Q2J965CZ
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50009676
PNG
(4-Amino-N-{2-[2-(2-{2-[2-amino-3-(4-hydroxy-phenyl...)
Show SMILES NCCCC(=O)NCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C28H39N7O6/c29-12-4-7-24(37)31-13-14-32-28(41)23(16-19-5-2-1-3-6-19)35-26(39)18-33-25(38)17-34-27(40)22(30)15-20-8-10-21(36)11-9-20/h1-3,5-6,8-11,22-23,36H,4,7,12-18,29-30H2,(H,31,37)(H,32,41)(H,33,38)(H,34,40)(H,35,39)/t22-,23-/m0/s1
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1.65E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
The compound was tested for binding activity towards opioid receptor mu in guinea pig brain membranes.


J Med Chem 34: 2816-21 (1991)


Article DOI: 10.1021/jm00113a020
BindingDB Entry DOI: 10.7270/Q2J965CZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50009676
PNG
(4-Amino-N-{2-[2-(2-{2-[2-amino-3-(4-hydroxy-phenyl...)
Show SMILES NCCCC(=O)NCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C28H39N7O6/c29-12-4-7-24(37)31-13-14-32-28(41)23(16-19-5-2-1-3-6-19)35-26(39)18-33-25(38)17-34-27(40)22(30)15-20-8-10-21(36)11-9-20/h1-3,5-6,8-11,22-23,36H,4,7,12-18,29-30H2,(H,31,37)(H,32,41)(H,33,38)(H,34,40)(H,35,39)/t22-,23-/m0/s1
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3.67E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
The compound was tested for binding activity towards opioid receptor kappa in guinea pig brain membranes.


J Med Chem 34: 2816-21 (1991)


Article DOI: 10.1021/jm00113a020
BindingDB Entry DOI: 10.7270/Q2J965CZ
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))
BDBM10355
PNG
((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C23H32N4O8/c1-12(2)20(23(35)24-13(3)21(33)26-16(11-28)10-19(31)32)27-22(34)18(25-14(4)29)9-15-5-7-17(30)8-6-15/h5-8,11-13,16,18,20,30H,9-10H2,1-4H3,(H,24,35)(H,25,29)(H,26,33)(H,27,34)(H,31,32)/t13-,16-,18-,20-/m0/s1
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n/an/a 8.10n/an/an/an/an/an/a



Washington University School of Medicine



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...


J Med Chem 48: 7637-47 (2005)


Article DOI: 10.1021/jm0506625
BindingDB Entry DOI: 10.7270/Q2V40SDN
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))
BDBM10355
PNG
((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C23H32N4O8/c1-12(2)20(23(35)24-13(3)21(33)26-16(11-28)10-19(31)32)27-22(34)18(25-14(4)29)9-15-5-7-17(30)8-6-15/h5-8,11-13,16,18,20,30H,9-10H2,1-4H3,(H,24,35)(H,25,29)(H,26,33)(H,27,34)(H,31,32)/t13-,16-,18-,20-/m0/s1
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n/an/a 8.40n/an/an/an/a7.437



Washington University



Assay Description
The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...


J Med Chem 52: 2188-91 (2009)


Article DOI: 10.1021/jm900135r
BindingDB Entry DOI: 10.7270/Q2B856G4
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50009183
PNG
(2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C38H55N9O9/c1-20(2)31(37(55)42-19-30(41)50)47-38(56)32(21(3)4)46-35(53)27(15-16-29(40)49)44-36(54)28(18-23-9-7-6-8-10-23)45-33(51)22(5)43-34(52)26(39)17-24-11-13-25(48)14-12-24/h6-14,20-22,26-28,31-32,48H,15-19,39H2,1-5H3,(H2,40,49)(H2,41,50)(H,42,55)(H,43,52)(H,44,54)(H,45,51)(H,46,53)(H,47,56)/t22-,26-,27-,28-,31-,32-/m0/s1
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n/an/a 280n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Compound is tested in vitro in guinea pig ileum (GPI) assay mediated by Opioid receptor mu 1


J Med Chem 34: 1656-61 (1991)


Article DOI: 10.1021/jm00109a019
BindingDB Entry DOI: 10.7270/Q2XW4KCF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50452137
PNG
(CHEMBL2372195)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)C(C)(C)C
Show InChI InChI=1S/C29H40N6O6/c1-17(33-27(40)21(30)14-19-10-12-20(36)13-11-19)26(39)32-16-23(37)34-22(15-18-8-6-5-7-9-18)28(41)35-24(25(31)38)29(2,3)4/h5-13,17,21-22,24,36H,14-16,30H2,1-4H3,(H2,31,38)(H,32,39)(H,33,40)(H,34,37)(H,35,41)/t17-,21-,22-,24+/m0/s1
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n/an/a 9.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity contractions of electrically stimulated mouse vas deferens was determined


J Med Chem 25: 1428-31 (1983)


Article DOI: 10.1021/jm00354a007
BindingDB Entry DOI: 10.7270/Q2N87C0G
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50027505
PNG
(Acetate1-[1-({[1-(1-carbamoyl-3-methyl-butylcarbam...)
Show SMILES CC(O)=O.CC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C30H42N6O6.C2H4O2/c1-4-23(35-28(40)22(31)15-20-10-12-21(37)13-11-20)29(41)33-17-26(38)34-25(16-19-8-6-5-7-9-19)30(42)36-24(27(32)39)14-18(2)3;1-2(3)4/h5-13,18,22-25,37H,4,14-17,31H2,1-3H3,(H2,32,39)(H,33,41)(H,34,38)(H,35,40)(H,36,42);1H3,(H,3,4)/t22-,23+,24-,25-;/m0./s1
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n/an/a 29n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against Opioid receptor mu 1 in the guinea pig ileum assay


J Med Chem 25: 1432-8 (1983)


Article DOI: 10.1021/jm00354a008
BindingDB Entry DOI: 10.7270/Q2HQ40G9
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50027508
PNG
(Acetate1-(6-benzyl-3-isobutyl-2,5,8,11-tetraoxo-1,...)
Show SMILES CC(O)=O.CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C29H40N6O6.C2H4O2/c1-17(2)13-23(26(31)38)35-29(41)24(15-19-7-5-4-6-8-19)34-25(37)16-32-27(39)18(3)33-28(40)22(30)14-20-9-11-21(36)12-10-20;1-2(3)4/h4-12,17-18,22-24,36H,13-16,30H2,1-3H3,(H2,31,38)(H,32,39)(H,33,40)(H,34,37)(H,35,41);1H3,(H,3,4)/t18-,22+,23+,24+;/m1./s1
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n/an/a 7.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against mu receptor in guinea pig ileum assay


J Med Chem 25: 1432-8 (1983)


Article DOI: 10.1021/jm00354a008
BindingDB Entry DOI: 10.7270/Q2HQ40G9
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50027511
PNG
(Acetate1-[1-({[1-(1-carbamoyl-3-methyl-butylcarbam...)
Show SMILES CC(O)=O.CCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C31H44N6O6.C2H4O2/c1-4-8-24(36-29(41)23(32)16-21-11-13-22(38)14-12-21)30(42)34-18-27(39)35-26(17-20-9-6-5-7-10-20)31(43)37-25(28(33)40)15-19(2)3;1-2(3)4/h5-7,9-14,19,23-26,38H,4,8,15-18,32H2,1-3H3,(H2,33,40)(H,34,42)(H,35,39)(H,36,41)(H,37,43);1H3,(H,3,4)/t23-,24+,25-,26-;/m0./s1
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n/an/a 23n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against Opioid receptor mu 1 in the guinea pig ileum assay


J Med Chem 25: 1432-8 (1983)


Article DOI: 10.1021/jm00354a008
BindingDB Entry DOI: 10.7270/Q2HQ40G9
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50027511
PNG
(Acetate1-[1-({[1-(1-carbamoyl-3-methyl-butylcarbam...)
Show SMILES CC(O)=O.CCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C31H44N6O6.C2H4O2/c1-4-8-24(36-29(41)23(32)16-21-11-13-22(38)14-12-21)30(42)34-18-27(39)35-26(17-20-9-6-5-7-10-20)31(43)37-25(28(33)40)15-19(2)3;1-2(3)4/h5-7,9-14,19,23-26,38H,4,8,15-18,32H2,1-3H3,(H2,33,40)(H,34,42)(H,35,39)(H,36,41)(H,37,43);1H3,(H,3,4)/t23-,24+,25-,26-;/m0./s1
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n/an/a 6.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H][D-Ala2,D-Leu5]enkephalin to Opioid receptor delta 1 in the rat brain homogenate


J Med Chem 25: 1432-8 (1983)


Article DOI: 10.1021/jm00354a008
BindingDB Entry DOI: 10.7270/Q2HQ40G9
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50027505
PNG
(Acetate1-[1-({[1-(1-carbamoyl-3-methyl-butylcarbam...)
Show SMILES CC(O)=O.CC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C30H42N6O6.C2H4O2/c1-4-23(35-28(40)22(31)15-20-10-12-21(37)13-11-20)29(41)33-17-26(38)34-25(16-19-8-6-5-7-9-19)30(42)36-24(27(32)39)14-18(2)3;1-2(3)4/h5-13,18,22-25,37H,4,14-17,31H2,1-3H3,(H2,32,39)(H,33,41)(H,34,38)(H,35,40)(H,36,42);1H3,(H,3,4)/t22-,23+,24-,25-;/m0./s1
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n/an/a 8.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H][D-Ala2,D-Leu5]enkephalin to Opioid receptor delta 1 in the rat brain homogenate


J Med Chem 25: 1432-8 (1983)


Article DOI: 10.1021/jm00354a008
BindingDB Entry DOI: 10.7270/Q2HQ40G9
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50018716
PNG
(2-Amino-N-[1-({[(1,3-dimethyl-butyl)-ethyl-carbamo...)
Show SMILES CCN(C(C)CC(C)C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C22H36N4O4/c1-6-26(15(4)11-14(2)3)20(28)13-24-21(29)16(5)25-22(30)19(23)12-17-7-9-18(27)10-8-17/h7-10,14-16,19,27H,6,11-13,23H2,1-5H3,(H,24,29)(H,25,30)/t15?,16-,19+/m1/s1
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n/an/a 216n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contraction of guinea pig ileum (myenteric plexus:longitudinal muscle preparation) by antagonist action at mu 1 opi...


J Med Chem 31: 374-83 (1988)


Article DOI: 10.1021/jm00397a019
BindingDB Entry DOI: 10.7270/Q21R6R37
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50018718
PNG
(2-Amino-N-(1-{[(1,3-dimethyl-butylcarbamoyl)-methy...)
Show SMILES CC(C)CC(C)NC(=O)CNC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C21H34N4O4/c1-13(2)10-14(3)24-18(27)12-23-20(29)21(4,5)25-19(28)17(22)11-15-6-8-16(26)9-7-15/h6-9,13-14,17,26H,10-12,22H2,1-5H3,(H,23,29)(H,24,27)(H,25,28)/t14?,17-/m0/s1
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n/an/a 1.85E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contraction of guinea pig ileum (myenteric plexus:longitudinal muscle preparation) by antagonist action at mu 1 opi...


J Med Chem 31: 374-83 (1988)


Article DOI: 10.1021/jm00397a019
BindingDB Entry DOI: 10.7270/Q21R6R37
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50018719
PNG
(2-Amino-3-(4-hydroxy-phenyl)-N-(1-{[(3-methyl-buty...)
Show SMILES CC(C)CCNC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C19H30N4O4/c1-12(2)8-9-21-17(25)11-22-18(26)13(3)23-19(27)16(20)10-14-4-6-15(24)7-5-14/h4-7,12-13,16,24H,8-11,20H2,1-3H3,(H,21,25)(H,22,26)(H,23,27)/t13-,16+/m1/s1
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n/an/a 323n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of electrically evoked contraction of guinea pig ileum (myenteric plexus:longitudinal muscle preparation) by antagonist action at mu 1 opi...


J Med Chem 31: 374-83 (1988)


Article DOI: 10.1021/jm00397a019
BindingDB Entry DOI: 10.7270/Q21R6R37
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50093825
PNG
(2-Acetylamino-N-[(S)-1-(hydroxycarbamoylmethyl-car...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NO
Show InChI InChI=1S/C22H26N4O7/c1-13(27)24-19(11-15-4-8-17(29)9-5-15)22(32)25-18(21(31)23-12-20(30)26-33)10-14-2-6-16(28)7-3-14/h2-9,18-19,28-29,33H,10-12H2,1H3,(H,23,31)(H,24,27)(H,25,32)(H,26,30)/t18-,19-/m0/s1
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n/an/a 6.50E+4n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory effect against Procollagen C-terminal proteinase


Bioorg Med Chem Lett 10: 2513-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00525-4
BindingDB Entry DOI: 10.7270/Q2KP81F2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21123
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H29N5O5/c1-14(27-23(33)18(24)11-16-7-9-17(29)10-8-16)22(32)26-13-20(30)28-19(21(25)31)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,30)/t14-,18+,19+/m1/s1
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n/an/an/an/a 13n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at rat mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 54: 382-6 (2011)


Article DOI: 10.1021/jm100982d
BindingDB Entry DOI: 10.7270/Q2N29XWF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21123
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H29N5O5/c1-14(27-23(33)18(24)11-16-7-9-17(29)10-8-16)22(32)26-13-20(30)28-19(21(25)31)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,30)/t14-,18+,19+/m1/s1
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n/an/a 724n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cells


J Med Chem 54: 382-6 (2011)


Article DOI: 10.1021/jm100982d
BindingDB Entry DOI: 10.7270/Q2N29XWF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21123
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H29N5O5/c1-14(27-23(33)18(24)11-16-7-9-17(29)10-8-16)22(32)26-13-20(30)28-19(21(25)31)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,30)/t14-,18+,19+/m1/s1
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n/an/an/an/a 190n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 54: 382-6 (2011)


Article DOI: 10.1021/jm100982d
BindingDB Entry DOI: 10.7270/Q2N29XWF
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21123
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H29N5O5/c1-14(27-23(33)18(24)11-16-7-9-17(29)10-8-16)22(32)26-13-20(30)28-19(21(25)31)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,30)/t14-,18+,19+/m1/s1
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n/an/a 5.80n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells


J Med Chem 54: 382-6 (2011)


Article DOI: 10.1021/jm100982d
BindingDB Entry DOI: 10.7270/Q2N29XWF
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))
BDBM10355
PNG
((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C23H32N4O8/c1-12(2)20(23(35)24-13(3)21(33)26-16(11-28)10-19(31)32)27-22(34)18(25-14(4)29)9-15-5-7-17(30)8-6-15/h5-8,11-13,16,18,20,30H,9-10H2,1-4H3,(H,24,35)(H,25,29)(H,26,33)(H,27,34)(H,31,32)/t13-,16-,18-,20-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ICE


Bioorg Med Chem Lett 20: 5184-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.004
BindingDB Entry DOI: 10.7270/Q2QZ2B5X
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))
BDBM10355
PNG
((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C23H32N4O8/c1-12(2)20(23(35)24-13(3)21(33)26-16(11-28)10-19(31)32)27-22(34)18(25-14(4)29)9-15-5-7-17(30)8-6-15/h5-8,11-13,16,18,20,30H,9-10H2,1-4H3,(H,24,35)(H,25,29)(H,26,33)(H,27,34)(H,31,32)/t13-,16-,18-,20-/m0/s1
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n/an/a 8.40n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of caspase 1 by fluorometric assay


Bioorg Med Chem Lett 21: 2192-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.015
BindingDB Entry DOI: 10.7270/Q2TB176G
More data for this
Ligand-Target Pair
hIL-1beta


(Homo sapiens (Human))
BDBM10355
PNG
((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O
Show InChI InChI=1S/C23H32N4O8/c1-12(2)20(23(35)24-13(3)21(33)26-16(11-28)10-19(31)32)27-22(34)18(25-14(4)29)9-15-5-7-17(30)8-6-15/h5-8,11-13,16,18,20,30H,9-10H2,1-4H3,(H,24,35)(H,25,29)(H,26,33)(H,27,34)(H,31,32)/t13-,16-,18-,20-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Induction of IL-1 beta production in LPS-induced human THP-1 cells by ELISA


J Nat Prod 74: 2273-7 (2011)


Article DOI: 10.1021/np2003066
BindingDB Entry DOI: 10.7270/Q2GQ6Z4V
More data for this
Ligand-Target Pair
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