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140 similar compounds to monomer 50136772

Wt: 150.6
BDBM50000336
Wt: 639.6
BDBM50108219
Wt: 586.7
BDBM50001685
Wt: 236.2
BDBM50001684
Purchase
Wt: 170.5
BDBM50001682
Purchase
Wt: 617.7
BDBM50016830
Wt: 657.8
BDBM50016829
Wt: 617.7
BDBM50016834
Wt: 657.8
BDBM50016832
Wt: 617.7
BDBM50016833
Wt: 659.8
BDBM50000809
Wt: 576.6
BDBM50000653
Wt: 616.7
BDBM50000654
Wt: 560.6
BDBM50000655
Wt: 574.7
BDBM50000658
Displayed 1 to 15 (of 133 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 58 hits for monomerid = 50000336,50108219,50001685,50001684,50001682,50016830,50016829,50016834,50016832,50016833,50000809,50000653,50000654,50000655,50000658   
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
Delta-type opioid receptor


(MOUSE)
BDBM50000655
PNG
((4R,7S,10R)-10-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H32N4O6S2/c1-26(2)21(25(35)36)30-23(33)19(13-15-6-4-3-5-7-15)28-24(34)20(14-37-38-26)29-22(32)18(27)12-16-8-10-17(31)11-9-16/h3-11,18-21,31H,12-14,27H2,1-2H3,(H,28,34)(H,29,32)(H,30,33)(H,35,36)/t18-,19-,20-,21+/m0/s1
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0.740n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against delta opioid receptor of mouse vas deferens using [3H]-DPDPE


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000655
PNG
((4R,7S,10R)-10-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H32N4O6S2/c1-26(2)21(25(35)36)30-23(33)19(13-15-6-4-3-5-7-15)28-24(34)20(14-37-38-26)29-22(32)18(27)12-16-8-10-17(31)11-9-16/h3-11,18-21,31H,12-14,27H2,1-2H3,(H,28,34)(H,29,32)(H,30,33)(H,35,36)/t18-,19-,20-,21+/m0/s1
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0.740n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 in guinea pig brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000655
PNG
((4R,7S,10R)-10-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H32N4O6S2/c1-26(2)21(25(35)36)30-23(33)19(13-15-6-4-3-5-7-15)28-24(34)20(14-37-38-26)29-22(32)18(27)12-16-8-10-17(31)11-9-16/h3-11,18-21,31H,12-14,27H2,1-2H3,(H,28,34)(H,29,32)(H,30,33)(H,35,36)/t18-,19-,20-,21+/m0/s1
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0.740n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000655
PNG
((4R,7S,10R)-10-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H32N4O6S2/c1-26(2)21(25(35)36)30-23(33)19(13-15-6-4-3-5-7-15)28-24(34)20(14-37-38-26)29-22(32)18(27)12-16-8-10-17(31)11-9-16/h3-11,18-21,31H,12-14,27H2,1-2H3,(H,28,34)(H,29,32)(H,30,33)(H,35,36)/t18-,19-,20-,21+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Pen2, D-Pen5]-enkephalin (DPDPE) binding to Opioid receptor delta 1 in guinea pig brain homogenate...


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000655
PNG
((4R,7S,10R)-10-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H32N4O6S2/c1-26(2)21(25(35)36)30-23(33)19(13-15-6-4-3-5-7-15)28-24(34)20(14-37-38-26)29-22(32)18(27)12-16-8-10-17(31)11-9-16/h3-11,18-21,31H,12-14,27H2,1-2H3,(H,28,34)(H,29,32)(H,30,33)(H,35,36)/t18-,19-,20-,21+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 in guinea pig brain homogenates, using [3H]DPDPE as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50016829
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-1...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC2(CCCCC2)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C31H39N5O7S2/c32-22(15-20-9-11-21(37)12-10-20)27(39)35-24-18-44-45-31(13-5-2-6-14-31)26(30(42)43)36-29(41)23(16-19-7-3-1-4-8-19)34-25(38)17-33-28(24)40/h1,3-4,7-12,22-24,26,37H,2,5-6,13-18,32H2,(H,33,40)(H,34,38)(H,35,39)(H,36,41)(H,42,43)/t22-,23-,24+,26-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Smith Kline and French Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for the ability to displace opioid receptor delta specific radioligand [3H]-DSLET


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50016829
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-1...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC2(CCCCC2)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C31H39N5O7S2/c32-22(15-20-9-11-21(37)12-10-20)27(39)35-24-18-44-45-31(13-5-2-6-14-31)26(30(42)43)36-29(41)23(16-19-7-3-1-4-8-19)34-25(38)17-33-28(24)40/h1,3-4,7-12,22-24,26,37H,2,5-6,13-18,32H2,(H,33,40)(H,34,38)(H,35,39)(H,36,41)(H,42,43)/t22-,23-,24+,26-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Smith Kline and French Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for the ability to displace opioid receptor delta specific radioligand [3H]-DSLET


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50016833
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C28H35N5O7S2/c1-28(2)23(27(39)40)33-26(38)20(13-16-6-4-3-5-7-16)31-22(35)14-30-25(37)21(15-41-42-28)32-24(36)19(29)12-17-8-10-18(34)11-9-17/h3-11,19-21,23,34H,12-15,29H2,1-2H3,(H,30,37)(H,31,35)(H,32,36)(H,33,38)(H,39,40)/t19-,20-,21+,23-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Smith Kline and French Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for the ability to displace opioid receptor kappa specific radioligand [3H]DADLE


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50016830
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C28H35N5O7S2/c1-28(2)23(27(39)40)33-26(38)20(13-16-6-4-3-5-7-16)31-22(35)14-30-25(37)21(15-41-42-28)32-24(36)19(29)12-17-8-10-18(34)11-9-17/h3-11,19-21,23,34H,12-15,29H2,1-2H3,(H,30,37)(H,31,35)(H,32,36)(H,33,38)(H,39,40)/t19-,20-,21+,23+/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Smith Kline and French Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for the ability to displace opioid receptor kappa specific radioligand [3H]DADLE


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000658
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-3...)
Show SMILES Cc1ccc(C[C@@H]2NC(=O)[C@H](CSSC(C)(C)[C@H](NC2=O)C(O)=O)NC(=O)[C@@H](N)Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C27H34N4O6S2/c1-15-4-6-17(7-5-15)13-20-24(34)31-22(26(36)37)27(2,3)39-38-14-21(25(35)29-20)30-23(33)19(28)12-16-8-10-18(32)11-9-16/h4-11,19-22,32H,12-14,28H2,1-3H3,(H,29,35)(H,30,33)(H,31,34)(H,36,37)/t19-,20-,21-,22+/m0/s1
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5.40n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Pen2, D-Pen5]-enkephalin (DPDPE) binding to opioid receptor delta in guinea pig brain homogenates


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50016830
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C28H35N5O7S2/c1-28(2)23(27(39)40)33-26(38)20(13-16-6-4-3-5-7-16)31-22(35)14-30-25(37)21(15-41-42-28)32-24(36)19(29)12-17-8-10-18(34)11-9-17/h3-11,19-21,23,34H,12-15,29H2,1-2H3,(H,30,37)(H,31,35)(H,32,36)(H,33,38)(H,39,40)/t19-,20-,21+,23+/m0/s1
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5.40n/an/an/an/an/an/an/an/a



Smith Kline and French Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for the ability to displace opioid receptor kappa specific radioligand [3H]DADLE


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50016833
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C28H35N5O7S2/c1-28(2)23(27(39)40)33-26(38)20(13-16-6-4-3-5-7-16)31-22(35)14-30-25(37)21(15-41-42-28)32-24(36)19(29)12-17-8-10-18(34)11-9-17/h3-11,19-21,23,34H,12-15,29H2,1-2H3,(H,30,37)(H,31,35)(H,32,36)(H,33,38)(H,39,40)/t19-,20-,21+,23-/m0/s1
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5.40n/an/an/an/an/an/an/an/a



Smith Kline and French Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for the ability to displace opioid receptor kappa specific radioligand [3H]DADLE


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50016834
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H35N5O7S2/c1-28(2)23(33-24(36)19(29)12-17-8-10-18(34)11-9-17)26(38)30-14-22(35)31-20(13-16-6-4-3-5-7-16)25(37)32-21(27(39)40)15-41-42-28/h3-11,19-21,23,34H,12-15,29H2,1-2H3,(H,30,38)(H,31,35)(H,32,37)(H,33,36)(H,39,40)/t19-,20-,21-,23+/m0/s1
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12n/an/an/an/an/an/an/an/a



Smith Kline and French Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for the ability to displace opioid receptor kappa specific radioligand [3H]DADLE


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50016832
PNG
(19-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-1...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CSSC11CCCCC1)C(O)=O
Show InChI InChI=1S/C31H39N5O7S2/c32-22(15-20-9-11-21(37)12-10-20)27(39)36-26-29(41)33-17-25(38)34-23(16-19-7-3-1-4-8-19)28(40)35-24(30(42)43)18-44-45-31(26)13-5-2-6-14-31/h1,3-4,7-12,22-24,26,37H,2,5-6,13-18,32H2,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t22-,23-,24-,26-/m0/s1
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15n/an/an/an/an/an/an/an/a



Smith Kline and French Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for the ability to displace receptor specific radioligand [3H]DPDPE


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50016829
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-1...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC2(CCCCC2)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C31H39N5O7S2/c32-22(15-20-9-11-21(37)12-10-20)27(39)35-24-18-44-45-31(13-5-2-6-14-31)26(30(42)43)36-29(41)23(16-19-7-3-1-4-8-19)34-25(38)17-33-28(24)40/h1,3-4,7-12,22-24,26,37H,2,5-6,13-18,32H2,(H,33,40)(H,34,38)(H,35,39)(H,36,41)(H,42,43)/t22-,23-,24+,26-/m0/s1
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21n/an/an/an/an/an/an/an/a



Smith Kline and French Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for the ability to displace mu-receptor specific radioligand [3H]DAGO


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000653
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H32N4O7S2/c1-26(2)21(25(36)37)30-23(34)19(12-15-5-9-17(32)10-6-15)28-24(35)20(13-38-39-26)29-22(33)18(27)11-14-3-7-16(31)8-4-14/h3-10,18-21,31-32H,11-13,27H2,1-2H3,(H,28,35)(H,29,33)(H,30,34)(H,36,37)/t18-,19-,20-,21+/m0/s1
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26n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Pen2, D-Pen5]-enkephalin (DPDPE) binding to Opioid receptor delta 1 in guinea pig brain homogenate...


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50016832
PNG
(19-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-1...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CSSC11CCCCC1)C(O)=O
Show InChI InChI=1S/C31H39N5O7S2/c32-22(15-20-9-11-21(37)12-10-20)27(39)36-26-29(41)33-17-25(38)34-23(16-19-7-3-1-4-8-19)28(40)35-24(30(42)43)18-44-45-31(26)13-5-2-6-14-31/h1,3-4,7-12,22-24,26,37H,2,5-6,13-18,32H2,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t22-,23-,24-,26-/m0/s1
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31n/an/an/an/an/an/an/an/a



Smith Kline and French Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for the ability to displace opioid receptor delta specific radioligand [3H]-DSLET


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000654
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC(C)(C)c1ccc(C[C@@H]2NC(=O)[C@H](CSSC(C)(C)[C@H](NC2=O)C(O)=O)NC(=O)[C@@H](N)Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H40N4O6S2/c1-29(2,3)19-10-6-18(7-11-19)15-22-26(37)34-24(28(39)40)30(4,5)42-41-16-23(27(38)32-22)33-25(36)21(31)14-17-8-12-20(35)13-9-17/h6-13,21-24,35H,14-16,31H2,1-5H3,(H,32,38)(H,33,36)(H,34,37)(H,39,40)/t21-,22-,23-,24+/m0/s1
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37n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Pen2, D-Pen5]-enkephalin (DPDPE) binding to opioid receptor delta in guinea pig brain homogenates


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50000655
PNG
((4R,7S,10R)-10-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H32N4O6S2/c1-26(2)21(25(35)36)30-23(33)19(13-15-6-4-3-5-7-15)28-24(34)20(14-37-38-26)29-22(32)18(27)12-16-8-10-17(31)11-9-16/h3-11,18-21,31H,12-14,27H2,1-2H3,(H,28,34)(H,29,32)(H,30,33)(H,35,36)/t18-,19-,20-,21+/m0/s1
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52n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mu opioid receptor of guinea pig brain membrane


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50000655
PNG
((4R,7S,10R)-10-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H32N4O6S2/c1-26(2)21(25(35)36)30-23(33)19(13-15-6-4-3-5-7-15)28-24(34)20(14-37-38-26)29-22(32)18(27)12-16-8-10-17(31)11-9-16/h3-11,18-21,31H,12-14,27H2,1-2H3,(H,28,34)(H,29,32)(H,30,33)(H,35,36)/t18-,19-,20-,21+/m0/s1
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52n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50000655
PNG
((4R,7S,10R)-10-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H32N4O6S2/c1-26(2)21(25(35)36)30-23(33)19(13-15-6-4-3-5-7-15)28-24(34)20(14-37-38-26)29-22(32)18(27)12-16-8-10-17(31)11-9-16/h3-11,18-21,31H,12-14,27H2,1-2H3,(H,28,34)(H,29,32)(H,30,33)(H,35,36)/t18-,19-,20-,21+/m0/s1
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52n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in guinea pig brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50001685
PNG
(7-Benzyl-10-{[3-(4-hydroxy-phenyl)-pyrrolidine-2-c...)
Show SMILES CC1(C)SSC[C@@H](NC(=O)[C@@H]2NCC[C@@H]2c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C28H34N4O6S2/c1-28(2)23(27(37)38)32-24(34)20(14-16-6-4-3-5-7-16)30-25(35)21(15-39-40-28)31-26(36)22-19(12-13-29-22)17-8-10-18(33)11-9-17/h3-11,19-23,29,33H,12-15H2,1-2H3,(H,30,35)(H,31,36)(H,32,34)(H,37,38)/t19-,20+,21-,22-,23-/m1/s1
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84n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 in guinea pig brain homogenates, using [3H]DPDPE as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50000655
PNG
((4R,7S,10R)-10-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H32N4O6S2/c1-26(2)21(25(35)36)30-23(33)19(13-15-6-4-3-5-7-15)28-24(34)20(14-37-38-26)29-22(32)18(27)12-16-8-10-17(31)11-9-16/h3-11,18-21,31H,12-14,27H2,1-2H3,(H,28,34)(H,29,32)(H,30,33)(H,35,36)/t18-,19-,20-,21+/m0/s1
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107n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu in guinea pig brain homogenates, using [3H]DAMGO as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50000655
PNG
((4R,7S,10R)-10-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H32N4O6S2/c1-26(2)21(25(35)36)30-23(33)19(13-15-6-4-3-5-7-15)28-24(34)20(14-37-38-26)29-22(32)18(27)12-16-8-10-17(31)11-9-16/h3-11,18-21,31H,12-14,27H2,1-2H3,(H,28,34)(H,29,32)(H,30,33)(H,35,36)/t18-,19-,20-,21+/m0/s1
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107n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Ala2, N-MePhe4, Gly5-ol]-enkephalin (DAMGO) binding to Opioid receptor mu 1 in guinea pig brain ho...


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50016834
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H35N5O7S2/c1-28(2)23(33-24(36)19(29)12-17-8-10-18(34)11-9-17)26(38)30-14-22(35)31-20(13-16-6-4-3-5-7-16)25(37)32-21(27(39)40)15-41-42-28/h3-11,19-21,23,34H,12-15,29H2,1-2H3,(H,30,38)(H,31,35)(H,32,37)(H,33,36)(H,39,40)/t19-,20-,21-,23+/m0/s1
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178n/an/an/an/an/an/an/an/a



Smith Kline and French Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for the ability to displace opioid receptor kappa specific radioligand [3H]naloxone


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50016832
PNG
(19-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-1...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CSSC11CCCCC1)C(O)=O
Show InChI InChI=1S/C31H39N5O7S2/c32-22(15-20-9-11-21(37)12-10-20)27(39)36-26-29(41)33-17-25(38)34-23(16-19-7-3-1-4-8-19)28(40)35-24(30(42)43)18-44-45-31(26)13-5-2-6-14-31/h1,3-4,7-12,22-24,26,37H,2,5-6,13-18,32H2,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t22-,23-,24-,26-/m0/s1
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387n/an/an/an/an/an/an/an/a



Smith Kline and French Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for the ability to displace delta-receptor specific radioligand [3H]DPDPE


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000654
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC(C)(C)c1ccc(C[C@@H]2NC(=O)[C@H](CSSC(C)(C)[C@H](NC2=O)C(O)=O)NC(=O)[C@@H](N)Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H40N4O6S2/c1-29(2,3)19-10-6-18(7-11-19)15-22-26(37)34-24(28(39)40)30(4,5)42-41-16-23(27(38)32-22)33-25(36)21(31)14-17-8-12-20(35)13-9-17/h6-13,21-24,35H,14-16,31H2,1-5H3,(H,32,38)(H,33,36)(H,34,37)(H,39,40)/t21-,22-,23-,24+/m0/s1
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648n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Pen2, D-Pen5]-enkephalin (DPDPE) binding to Opioid receptor delta 1 in guinea pig brain homogenate...


Citation and Details
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50016832
PNG
(19-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-1...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CSSC11CCCCC1)C(O)=O
Show InChI InChI=1S/C31H39N5O7S2/c32-22(15-20-9-11-21(37)12-10-20)27(39)36-26-29(41)33-17-25(38)34-23(16-19-7-3-1-4-8-19)28(40)35-24(30(42)43)18-44-45-31(26)13-5-2-6-14-31/h1,3-4,7-12,22-24,26,37H,2,5-6,13-18,32H2,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t22-,23-,24-,26-/m0/s1
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683n/an/an/an/an/an/an/an/a



Smith Kline and French Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for the ability to displace delta-receptor specific radioligand [3H]DSLET


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000655
PNG
((4R,7S,10R)-10-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H32N4O6S2/c1-26(2)21(25(35)36)30-23(33)19(13-15-6-4-3-5-7-15)28-24(34)20(14-37-38-26)29-22(32)18(27)12-16-8-10-17(31)11-9-16/h3-11,18-21,31H,12-14,27H2,1-2H3,(H,28,34)(H,29,32)(H,30,33)(H,35,36)/t18-,19-,20-,21+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 in guinea pig brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM50001682
PNG
(CHEMBL3237995)
Show SMILES NNC(=O)c1ccccc1Cl
Show InChI InChI=1S/C7H7ClN2O/c8-6-4-2-1-3-5(6)7(11)10-9/h1-4H,9H2,(H,10,11)
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PubMed
1.40E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Competitive inhibition of cathepsin B in goat liver using alpha-N-benzoyl-D,L-arginine-2-naphthylamide as substrate by colorimetric analysis


Eur J Med Chem 77: 231-42 (2014)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50000658
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-3...)
Show SMILES Cc1ccc(C[C@@H]2NC(=O)[C@H](CSSC(C)(C)[C@H](NC2=O)C(O)=O)NC(=O)[C@@H](N)Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C27H34N4O6S2/c1-15-4-6-17(7-5-15)13-20-24(34)31-22(26(36)37)27(2,3)39-38-14-21(25(35)29-20)30-23(33)19(28)12-16-8-10-18(32)11-9-16/h4-11,19-22,32H,12-14,28H2,1-3H3,(H,29,35)(H,30,33)(H,31,34)(H,36,37)/t19-,20-,21-,22+/m0/s1
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1.75E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Ala2, N-MePhe4, Gly5-ol]-enkephalin (DAMGO) binding to opioid receptor mu in guinea pig brain homo...


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50016832
PNG
(19-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-1...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CSSC11CCCCC1)C(O)=O
Show InChI InChI=1S/C31H39N5O7S2/c32-22(15-20-9-11-21(37)12-10-20)27(39)36-26-29(41)33-17-25(38)34-23(16-19-7-3-1-4-8-19)28(40)35-24(30(42)43)18-44-45-31(26)13-5-2-6-14-31/h1,3-4,7-12,22-24,26,37H,2,5-6,13-18,32H2,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t22-,23-,24-,26-/m0/s1
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1.80E+3n/an/an/an/an/an/an/an/a



Smith Kline and French Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for the ability to displace mu-receptor specific radioligand [3H]DAGO


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50000653
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H32N4O7S2/c1-26(2)21(25(36)37)30-23(34)19(12-15-5-9-17(32)10-6-15)28-24(35)20(13-38-39-26)29-22(33)18(27)11-14-3-7-16(31)8-4-14/h3-10,18-21,31-32H,11-13,27H2,1-2H3,(H,28,35)(H,29,33)(H,30,34)(H,36,37)/t18-,19-,20-,21+/m0/s1
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3.45E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Ala2, N-MePhe4, Gly5-ol]-enkephalin (DAMGO) binding to Opioid receptor mu 1 in guinea pig brain ho...


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50016832
PNG
(19-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-1...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CSSC11CCCCC1)C(O)=O
Show InChI InChI=1S/C31H39N5O7S2/c32-22(15-20-9-11-21(37)12-10-20)27(39)36-26-29(41)33-17-25(38)34-23(16-19-7-3-1-4-8-19)28(40)35-24(30(42)43)18-44-45-31(26)13-5-2-6-14-31/h1,3-4,7-12,22-24,26,37H,2,5-6,13-18,32H2,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t22-,23-,24-,26-/m0/s1
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4.01E+3n/an/an/an/an/an/an/an/a



Smith Kline and French Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for the ability to displace Opioid receptor mu 1 specific radioligand [3H]DAGO


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000654
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC(C)(C)c1ccc(C[C@@H]2NC(=O)[C@H](CSSC(C)(C)[C@H](NC2=O)C(O)=O)NC(=O)[C@@H](N)Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H40N4O6S2/c1-29(2,3)19-10-6-18(7-11-19)15-22-26(37)34-24(28(39)40)30(4,5)42-41-16-23(27(38)32-22)33-25(36)21(31)14-17-8-12-20(35)13-9-17/h6-13,21-24,35H,14-16,31H2,1-5H3,(H,32,38)(H,33,36)(H,34,37)(H,39,40)/t21-,22-,23-,24+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- (U69,593) binding to Opioid receptor kappa 1 in guinea pig brain homogenates


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000653
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H32N4O7S2/c1-26(2)21(25(36)37)30-23(34)19(12-15-5-9-17(32)10-6-15)28-24(35)20(13-38-39-26)29-22(33)18(27)11-14-3-7-16(31)8-4-14/h3-10,18-21,31-32H,11-13,27H2,1-2H3,(H,28,35)(H,29,33)(H,30,34)(H,36,37)/t18-,19-,20-,21+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- (U69,593) binding to Opioid receptor kappa 1 in guinea pig brain homogenates


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50000654
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC(C)(C)c1ccc(C[C@@H]2NC(=O)[C@H](CSSC(C)(C)[C@H](NC2=O)C(O)=O)NC(=O)[C@@H](N)Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H40N4O6S2/c1-29(2,3)19-10-6-18(7-11-19)15-22-26(37)34-24(28(39)40)30(4,5)42-41-16-23(27(38)32-22)33-25(36)21(31)14-17-8-12-20(35)13-9-17/h6-13,21-24,35H,14-16,31H2,1-5H3,(H,32,38)(H,33,36)(H,34,37)(H,39,40)/t21-,22-,23-,24+/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Ala2, N-MePhe4, Gly5-ol]-enkephalin (DAMGO) binding to opioid receptor mu in guinea pig brain homo...


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000654
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC(C)(C)c1ccc(C[C@@H]2NC(=O)[C@H](CSSC(C)(C)[C@H](NC2=O)C(O)=O)NC(=O)[C@@H](N)Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H40N4O6S2/c1-29(2,3)19-10-6-18(7-11-19)15-22-26(37)34-24(28(39)40)30(4,5)42-41-16-23(27(38)32-22)33-25(36)21(31)14-17-8-12-20(35)13-9-17/h6-13,21-24,35H,14-16,31H2,1-5H3,(H,32,38)(H,33,36)(H,34,37)(H,39,40)/t21-,22-,23-,24+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- (U69,593) binding to opioid receptor kappa in guinea pig brain homogenates


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000658
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-3...)
Show SMILES Cc1ccc(C[C@@H]2NC(=O)[C@H](CSSC(C)(C)[C@H](NC2=O)C(O)=O)NC(=O)[C@@H](N)Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C27H34N4O6S2/c1-15-4-6-17(7-5-15)13-20-24(34)31-22(26(36)37)27(2,3)39-38-14-21(25(35)29-20)30-23(33)19(28)12-16-8-10-18(32)11-9-16/h4-11,19-22,32H,12-14,28H2,1-3H3,(H,29,35)(H,30,33)(H,31,34)(H,36,37)/t19-,20-,21-,22+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- (U69,593) binding to opioid receptor kappa in guinea pig brain homogenates


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000655
PNG
((4R,7S,10R)-10-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H32N4O6S2/c1-26(2)21(25(35)36)30-23(33)19(13-15-6-4-3-5-7-15)28-24(34)20(14-37-38-26)29-22(32)18(27)12-16-8-10-17(31)11-9-16/h3-11,18-21,31H,12-14,27H2,1-2H3,(H,28,34)(H,29,32)(H,30,33)(H,35,36)/t18-,19-,20-,21+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa from guinea pig brain homogenates, using [3H]U-69593 as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50001685
PNG
(7-Benzyl-10-{[3-(4-hydroxy-phenyl)-pyrrolidine-2-c...)
Show SMILES CC1(C)SSC[C@@H](NC(=O)[C@@H]2NCC[C@@H]2c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C28H34N4O6S2/c1-28(2)23(27(37)38)32-24(34)20(14-16-6-4-3-5-7-16)30-25(35)21(15-39-40-28)31-26(36)22-19(12-13-29-22)17-8-10-18(33)11-9-17/h3-11,19-23,29,33H,12-15H2,1-2H3,(H,30,35)(H,31,36)(H,32,34)(H,37,38)/t19-,20+,21-,22-,23-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa from guinea pig brain homogenates, using [3H]U-69593 as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50001685
PNG
(7-Benzyl-10-{[3-(4-hydroxy-phenyl)-pyrrolidine-2-c...)
Show SMILES CC1(C)SSC[C@@H](NC(=O)[C@@H]2NCC[C@@H]2c2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C28H34N4O6S2/c1-28(2)23(27(37)38)32-24(34)20(14-16-6-4-3-5-7-16)30-25(35)21(15-39-40-28)31-26(36)22-19(12-13-29-22)17-8-10-18(33)11-9-17/h3-11,19-23,29,33H,12-15H2,1-2H3,(H,30,35)(H,31,36)(H,32,34)(H,37,38)/t19-,20+,21-,22-,23-/m1/s1
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1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu in guinea pig brain homogenates, using [3H]DAMGO as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000655
PNG
((4R,7S,10R)-10-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES CC1(C)SSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O
Show InChI InChI=1S/C26H32N4O6S2/c1-26(2)21(25(35)36)30-23(33)19(13-15-6-4-3-5-7-15)28-24(34)20(14-37-38-26)29-22(32)18(27)12-16-8-10-17(31)11-9-16/h3-11,18-21,31H,12-14,27H2,1-2H3,(H,28,34)(H,29,32)(H,30,33)(H,35,36)/t18-,19-,20-,21+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- (U69,593) binding to Opioid receptor kappa 1 in guinea pig brain homogenates


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50000654
PNG
(10-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC(C)(C)c1ccc(C[C@@H]2NC(=O)[C@H](CSSC(C)(C)[C@H](NC2=O)C(O)=O)NC(=O)[C@@H](N)Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H40N4O6S2/c1-29(2,3)19-10-6-18(7-11-19)15-22-26(37)34-24(28(39)40)30(4,5)42-41-16-23(27(38)32-22)33-25(36)21(31)14-17-8-12-20(35)13-9-17/h6-13,21-24,35H,14-16,31H2,1-5H3,(H,32,38)(H,33,36)(H,34,37)(H,39,40)/t21-,22-,23-,24+/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]- [D-Ala2, N-MePhe4, Gly5-ol]-enkephalin (DAMGO) binding to Opioid receptor mu 1 in guinea pig brain ho...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM50001684
PNG
(CHEMBL1531266)
Show SMILES Nn1c(nnc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C14H12N4/c15-18-13(11-7-3-1-4-8-11)16-17-14(18)12-9-5-2-6-10-12/h1-10H,15H2
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PubMed
1.20E+5n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of cathepsin B in goat liver using alpha-N-benzoyl-D,L-arginine-2-naphthylamide as substrate by colorimetric analysis


Eur J Med Chem 77: 231-42 (2014)

More data for this
Ligand-Target Pair
Indolethylamine N-methyltransferase


(Homo sapiens)
BDBM50000336
PNG
(CHEMBL3228366)
Show SMILES Cn1sccc1=N
Show InChI InChI=1S/C4H6N2S.ClH/c1-6-4(5)2-3-7-6;/h2-3,5H,1H3;1H
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n/an/a 3.28E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C...


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50000809
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-butyrylamino]-7-b...)
Show SMILES C[C@@H]([C@@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1ccc(O)cc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-11-13-20(37)14-12-19)23(32)27(40)35-24-28(41)33-16-22(38)34-21(15-18-9-7-6-8-10-18)26(39)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t17-,21+,23-,24+,25+/m1/s1
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n/an/a 2.07E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against Opioid receptor delta 1 of Mouse vas deferens


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50000809
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-butyrylamino]-7-b...)
Show SMILES C[C@@H]([C@@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1ccc(O)cc1
Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-11-13-20(37)14-12-19)23(32)27(40)35-24-28(41)33-16-22(38)34-21(15-18-9-7-6-8-10-18)26(39)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t17-,21+,23-,24+,25+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against Opioid receptor delta 1 of Guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-4/beta7


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50108219
PNG
((5S,8R,13R)-8-[(S)-2-Acetylamino-3-(4-hydroxy-phen...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC1=O)C(O)=O
Show InChI InChI=1S/C26H33N5O10S2/c1-13(32)27-16(9-14-4-6-15(33)7-5-14)22(36)29-18-11-42-43-12-19(26(40)41)30-24(38)20-3-2-8-31(20)25(39)17(10-21(34)35)28-23(18)37/h4-7,16-20,33H,2-3,8-12H2,1H3,(H,27,32)(H,28,37)(H,29,36)(H,30,38)(H,34,35)(H,40,41)/t16-,17-,18-,19-,20-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assay


Citation and Details
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50108219
PNG
((5S,8R,13R)-8-[(S)-2-Acetylamino-3-(4-hydroxy-phen...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC1=O)C(O)=O
Show InChI InChI=1S/C26H33N5O10S2/c1-13(32)27-16(9-14-4-6-15(33)7-5-14)22(36)29-18-11-42-43-12-19(26(40)41)30-24(38)20-3-2-8-31(20)25(39)17(10-21(34)35)28-23(18)37/h4-7,16-20,33H,2-3,8-12H2,1H3,(H,27,32)(H,28,37)(H,29,36)(H,30,38)(H,34,35)(H,40,41)/t16-,17-,18-,19-,20-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay


Citation and Details
More data for this
Ligand-Target Pair
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