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PubMed code 11212101

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50096714
PNG
(2-[2-(2-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phen...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O
Show InChI InChI=1S/C31H44N6O6/c1-17(2)11-25(28(33)40)37-31(43)26(14-21-9-7-6-8-10-21)36-27(39)16-34-29(41)20(5)35-30(42)24(32)15-23-18(3)12-22(38)13-19(23)4/h6-10,12-13,17,20,24-26,38H,11,14-16,32H2,1-5H3,(H2,33,40)(H,34,41)(H,35,42)(H,36,39)(H,37,43)/t20-,24-,25-,26-/m0/s1
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0.322n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Tested for binding affinity towards Opioid receptor delta 1 in rat and guinea pig brain membrane binding assays


Bioorg Med Chem Lett 11: 323-5 (2001)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50096714
PNG
(2-[2-(2-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phen...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O
Show InChI InChI=1S/C31H44N6O6/c1-17(2)11-25(28(33)40)37-31(43)26(14-21-9-7-6-8-10-21)36-27(39)16-34-29(41)20(5)35-30(42)24(32)15-23-18(3)12-22(38)13-19(23)4/h6-10,12-13,17,20,24-26,38H,11,14-16,32H2,1-5H3,(H2,33,40)(H,34,41)(H,35,42)(H,36,39)(H,37,43)/t20-,24-,25-,26-/m0/s1
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0.492n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Tested for binding affinity towards Opioid receptor mu 1 in rat and guinea pig brain membrane binding assays


Bioorg Med Chem Lett 11: 323-5 (2001)

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


(Homo sapiens (Human))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Tested for binding affinity towards Opioid receptor delta 1 in rat and guinea pig brain membrane binding assays


Bioorg Med Chem Lett 11: 323-5 (2001)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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9.40n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Tested for binding affinity towards Opioid receptor mu 1 in rat and guinea pig brain membrane binding assays


Bioorg Med Chem Lett 11: 323-5 (2001)

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


(Homo sapiens (Human))
BDBM50096715
PNG
((S)-2-[(S)-2-(2-{(S)-2-[(S)-3-(4-Hydroxy-2,6-dimet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](C)Cc1c(C)cc(O)cc1C)C(N)=O
Show InChI InChI=1S/C32H45N5O6/c1-18(2)12-26(29(33)40)37-32(43)27(16-23-10-8-7-9-11-23)36-28(39)17-34-31(42)22(6)35-30(41)21(5)15-25-19(3)13-24(38)14-20(25)4/h7-11,13-14,18,21-22,26-27,38H,12,15-17H2,1-6H3,(H2,33,40)(H,34,42)(H,35,41)(H,36,39)(H,37,43)/t21-,22-,26-,27-/m0/s1
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12n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Tested for binding affinity towards Opioid receptor delta 1 in rat and guinea pig brain membrane binding assays


Bioorg Med Chem Lett 11: 323-5 (2001)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50096715
PNG
((S)-2-[(S)-2-(2-{(S)-2-[(S)-3-(4-Hydroxy-2,6-dimet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](C)Cc1c(C)cc(O)cc1C)C(N)=O
Show InChI InChI=1S/C32H45N5O6/c1-18(2)12-26(29(33)40)37-32(43)27(16-23-10-8-7-9-11-23)36-28(39)17-34-31(42)22(6)35-30(41)21(5)15-25-19(3)13-24(38)14-20(25)4/h7-11,13-14,18,21-22,26-27,38H,12,15-17H2,1-6H3,(H2,33,40)(H,34,42)(H,35,41)(H,36,39)(H,37,43)/t21-,22-,26-,27-/m0/s1
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192n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Tested for binding affinity towards Opioid receptor mu 1 in rat and guinea pig brain membrane binding assays


Bioorg Med Chem Lett 11: 323-5 (2001)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50096715
PNG
((S)-2-[(S)-2-(2-{(S)-2-[(S)-3-(4-Hydroxy-2,6-dimet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](C)Cc1c(C)cc(O)cc1C)C(N)=O
Show InChI InChI=1S/C32H45N5O6/c1-18(2)12-26(29(33)40)37-32(43)27(16-23-10-8-7-9-11-23)36-28(39)17-34-31(42)22(6)35-30(41)21(5)15-25-19(3)13-24(38)14-20(25)4/h7-11,13-14,18,21-22,26-27,38H,12,15-17H2,1-6H3,(H2,33,40)(H,34,42)(H,35,41)(H,36,39)(H,37,43)/t21-,22-,26-,27-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Tested for binding affinity towards Opioid receptor kappa 1


Bioorg Med Chem Lett 11: 323-5 (2001)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50096714
PNG
(2-[2-(2-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phen...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O
Show InChI InChI=1S/C31H44N6O6/c1-17(2)11-25(28(33)40)37-31(43)26(14-21-9-7-6-8-10-21)36-27(39)16-34-29(41)20(5)35-30(42)24(32)15-23-18(3)12-22(38)13-19(23)4/h6-10,12-13,17,20,24-26,38H,11,14-16,32H2,1-5H3,(H2,33,40)(H,34,41)(H,35,42)(H,36,39)(H,37,43)/t20-,24-,25-,26-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Tested for binding affinity towards Opioid receptor kappa 1


Bioorg Med Chem Lett 11: 323-5 (2001)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%