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21 similar compounds to monomer 50000514

Compile data set for download or QSAR
Wt: 782.8
BDBM50000507
Purchase
Wt: 797.8
BDBM50001723
Wt: 783.8
BDBM50009146
Wt: 783.8
BDBM50009185
Wt: 782.8
BDBM50009193
Wt: 741.8
BDBM50016358
Wt: 810.9
BDBM50057010
Wt: 810.9
BDBM50087065
Wt: 506.5
BDBM50091586
Wt: 810.9
BDBM50111904
Wt: 810.9
BDBM50111905
Wt: 665.6
BDBM50118658
Wt: 723.7
BDBM50118653
Wt: 892.0
BDBM50125575
Wt: 701.7
BDBM50281536
Displayed 1 to 15 (of 21 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 64 hits for monomerid = 50000507,50001723,50009146,50009185,50009193,50016358,50057010,50087065,50091586,50111904,50111905,50118658,50118653,50125575,50281536   
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))
BDBM50111905
PNG
((S)-4-[(S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c(C)cccc1C)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/C40H58N8O10/c1-20(2)33(39(57)43-19-31(42)50)48-40(58)34(21(3)4)47-37(55)29(15-16-32(51)52)45-38(56)30(18-27-22(5)9-8-10-23(27)6)46-35(53)24(7)44-36(54)28(41)17-25-11-13-26(49)14-12-25/h8-14,20-21,24,28-30,33-34,49H,15-19,41H2,1-7H3,(H2,42,50)(H,43,57)(H,44,54)(H,45,56)(H,46,53)(H,47,55)(H,48,58)(H,51,52)/t24-,28-,29-,30-,33-,34-/m0/s1
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0.00105n/an/an/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity of the compound against Opioid receptor delta 1 using [3H]-DT in rat brain synaptosomes was determined


Bioorg Med Chem Lett 12: 879-81 (2002)


Article DOI: 10.1016/s0960-894x(02)00035-5
BindingDB Entry DOI: 10.7270/Q2X34WSM
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009185
PNG
(4-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=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(O)=O
Show InChI InChI=1S/C38H53N7O11/c1-20(2)31(37(55)40-19-30(49)50)45-38(56)32(21(3)4)44-35(53)27(15-16-29(47)48)42-36(54)28(18-23-9-7-6-8-10-23)43-33(51)22(5)41-34(52)26(39)17-24-11-13-25(46)14-12-24/h6-14,20-22,26-28,31-32,46H,15-19,39H2,1-5H3,(H,40,55)(H,41,52)(H,42,54)(H,43,51)(H,44,53)(H,45,56)(H,47,48)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1
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0.120n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor delta in rats by displacing [3H]-DPDPE


J Med Chem 35: 4651-7 (1993)


Article DOI: 10.1021/jm00103a001
BindingDB Entry DOI: 10.7270/Q2M044BV
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50057010
PNG
((S)-4-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H58N8O10/c1-6-22(3)33(39(57)43-21-31(42)50)48-40(58)34(23(4)7-2)47-37(55)29(17-18-32(51)52)45-38(56)30(20-25-11-9-8-10-12-25)46-35(53)24(5)44-36(54)28(41)19-26-13-15-27(49)16-14-26/h8-16,22-24,28-30,33-34,49H,6-7,17-21,41H2,1-5H3,(H2,42,50)(H,43,57)(H,44,54)(H,45,56)(H,46,53)(H,47,55)(H,48,58)(H,51,52)/t22-,23-,24+,28-,29-,30-,33-,34-/m0/s1
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0.190n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [Ile5,6-3H]-deltorphin to membrane from baby hamster kidney cells infected with forest virus encoding the ...


Bioorg Med Chem Lett 10: 831-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00111-6
BindingDB Entry DOI: 10.7270/Q2N29XG2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50000507
PNG
((R)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=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/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26+,27+,28+,31+,32+/m1/s1
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0.310n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database




J Pharmacol Exp Ther 270: 1246-55 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9NN9
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009185
PNG
(4-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=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(O)=O
Show InChI InChI=1S/C38H53N7O11/c1-20(2)31(37(55)40-19-30(49)50)45-38(56)32(21(3)4)44-35(53)27(15-16-29(47)48)42-36(54)28(18-23-9-7-6-8-10-23)43-33(51)22(5)41-34(52)26(39)17-24-11-13-25(46)14-12-24/h6-14,20-22,26-28,31-32,46H,15-19,39H2,1-5H3,(H,40,55)(H,41,52)(H,42,54)(H,43,51)(H,44,53)(H,45,56)(H,47,48)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1
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0.310n/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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50057010
PNG
((S)-4-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H58N8O10/c1-6-22(3)33(39(57)43-21-31(42)50)48-40(58)34(23(4)7-2)47-37(55)29(17-18-32(51)52)45-38(56)30(20-25-11-9-8-10-12-25)46-35(53)24(5)44-36(54)28(41)19-26-13-15-27(49)16-14-26/h8-16,22-24,28-30,33-34,49H,6-7,17-21,41H2,1-5H3,(H2,42,50)(H,43,57)(H,44,54)(H,45,56)(H,46,53)(H,47,55)(H,48,58)(H,51,52)/t22-,23-,24+,28-,29-,30-,33-,34-/m0/s1
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0.385n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured using [3H]-DIDII against Opioid receptor delta 1 of rat brain


J Med Chem 40: 990-5 (1997)


Article DOI: 10.1021/jm9602726
BindingDB Entry DOI: 10.7270/Q2RR1XCH
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50087065
PNG
(4-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H58N8O10/c1-6-22(3)33(39(57)43-21-31(42)50)48-40(58)34(23(4)7-2)47-37(55)29(17-18-32(51)52)45-38(56)30(20-25-11-9-8-10-12-25)46-35(53)24(5)44-36(54)28(41)19-26-13-15-27(49)16-14-26/h8-16,22-24,28-30,33-34,49H,6-7,17-21,41H2,1-5H3,(H2,42,50)(H,43,57)(H,44,54)(H,45,56)(H,46,53)(H,47,55)(H,48,58)(H,51,52)/t22-,23-,24-,28-,29-,30-,33-,34-/m0/s1
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0.390n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinities against delta 2 opioid receptor of rat brain using [3H]Ile5,6-deltorphin II as radioligand.


J Med Chem 43: 1359-66 (2001)


Article DOI: 10.1021/jm9911534
BindingDB Entry DOI: 10.7270/Q2MS3S0S
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009185
PNG
(4-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=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(O)=O
Show InChI InChI=1S/C38H53N7O11/c1-20(2)31(37(55)40-19-30(49)50)45-38(56)32(21(3)4)44-35(53)27(15-16-29(47)48)42-36(54)28(18-23-9-7-6-8-10-23)43-33(51)22(5)41-34(52)26(39)17-24-11-13-25(46)14-12-24/h6-14,20-22,26-28,31-32,46H,15-19,39H2,1-5H3,(H,40,55)(H,41,52)(H,42,54)(H,43,51)(H,44,53)(H,45,56)(H,47,48)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1
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0.410n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPDPE binding to Opioid receptor delta 1


J Med Chem 35: 1222-7 (1992)


Article DOI: 10.1021/jm00085a009
BindingDB Entry DOI: 10.7270/Q29P30K2
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50057010
PNG
((S)-4-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H58N8O10/c1-6-22(3)33(39(57)43-21-31(42)50)48-40(58)34(23(4)7-2)47-37(55)29(17-18-32(51)52)45-38(56)30(20-25-11-9-8-10-12-25)46-35(53)24(5)44-36(54)28(41)19-26-13-15-27(49)16-14-26/h8-16,22-24,28-30,33-34,49H,6-7,17-21,41H2,1-5H3,(H2,42,50)(H,43,57)(H,44,54)(H,45,56)(H,46,53)(H,47,55)(H,48,58)(H,51,52)/t22-,23-,24+,28-,29-,30-,33-,34-/m0/s1
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0.535n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured using [3H]- TIPPsi against Opioid receptor delta 1


J Med Chem 40: 990-5 (1997)


Article DOI: 10.1021/jm9602726
BindingDB Entry DOI: 10.7270/Q2RR1XCH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50000507
PNG
((R)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=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/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26+,27+,28+,31+,32+/m1/s1
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1.5n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50000507
PNG
((R)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=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/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26+,27+,28+,31+,32+/m1/s1
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3.30n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 45: 330-4 (1994)


Article DOI: 10.1016/j.bioorg.2015.02.008
BindingDB Entry DOI: 10.7270/Q21Z42X1
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50057010
PNG
((S)-4-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H58N8O10/c1-6-22(3)33(39(57)43-21-31(42)50)48-40(58)34(23(4)7-2)47-37(55)29(17-18-32(51)52)45-38(56)30(20-25-11-9-8-10-12-25)46-35(53)24(5)44-36(54)28(41)19-26-13-15-27(49)16-14-26/h8-16,22-24,28-30,33-34,49H,6-7,17-21,41H2,1-5H3,(H2,42,50)(H,43,57)(H,44,54)(H,45,56)(H,46,53)(H,47,55)(H,48,58)(H,51,52)/t22-,23-,24+,28-,29-,30-,33-,34-/m0/s1
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5.80n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured using [3H]-naltrindole against Opioid receptor delta 1 of rat brain


J Med Chem 40: 990-5 (1997)


Article DOI: 10.1021/jm9602726
BindingDB Entry DOI: 10.7270/Q2RR1XCH
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009146
PNG
((S)-4-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=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(O)=O
Show InChI InChI=1S/C38H53N7O11/c1-20(2)31(37(55)40-19-30(49)50)45-38(56)32(21(3)4)44-35(53)27(15-16-29(47)48)42-36(54)28(18-23-9-7-6-8-10-23)43-33(51)22(5)41-34(52)26(39)17-24-11-13-25(46)14-12-24/h6-14,20-22,26-28,31-32,46H,15-19,39H2,1-5H3,(H,40,55)(H,41,52)(H,42,54)(H,43,51)(H,44,53)(H,45,56)(H,47,48)(H,49,50)/t22-,26+,27+,28+,31+,32+/m1/s1
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8n/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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001723
PNG
(4-[2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(N)cc1)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/C38H55N9O10/c1-19(2)31(37(56)42-18-29(41)49)47-38(57)32(20(3)4)46-35(54)27(14-15-30(50)51)44-36(55)28(17-23-6-10-24(39)11-7-23)45-33(52)21(5)43-34(53)26(40)16-22-8-12-25(48)13-9-22/h6-13,19-21,26-28,31-32,48H,14-18,39-40H2,1-5H3,(H2,41,49)(H,42,56)(H,43,53)(H,44,55)(H,45,52)(H,46,54)(H,47,57)(H,50,51)/t21-,26+,27+,28+,31+,32+/m1/s1
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48n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor delta in rats by displacing [3H]-DPDPE


J Med Chem 35: 4651-7 (1993)


Article DOI: 10.1021/jm00103a001
BindingDB Entry DOI: 10.7270/Q2M044BV
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000507
PNG
((R)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=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/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26+,27+,28+,31+,32+/m1/s1
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48.3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Neurosci 18: 290-5 (2003)


BindingDB Entry DOI: 10.7270/Q2P55M37
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50111904
PNG
((S)-4-[(R)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](Cc1c(C)cccc1C)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/C40H58N8O10/c1-20(2)33(39(57)43-19-31(42)50)48-40(58)34(21(3)4)47-37(55)29(15-16-32(51)52)45-38(56)30(18-27-22(5)9-8-10-23(27)6)46-35(53)24(7)44-36(54)28(41)17-25-11-13-26(49)14-12-25/h8-14,20-21,24,28-30,33-34,49H,15-19,41H2,1-7H3,(H2,42,50)(H,43,57)(H,44,54)(H,45,56)(H,46,53)(H,47,55)(H,48,58)(H,51,52)/t24-,28+,29+,30-,33+,34+/m1/s1
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111n/an/an/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity of the compound against Opioid receptor delta 1 using [3H]-DT in rat brain synaptosomes was determined


Bioorg Med Chem Lett 12: 879-81 (2002)


Article DOI: 10.1016/s0960-894x(02)00035-5
BindingDB Entry DOI: 10.7270/Q2X34WSM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50000507
PNG
((R)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=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/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26+,27+,28+,31+,32+/m1/s1
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230n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database




J Pharmacol Exp Ther 270: 1246-55 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9NN9
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009185
PNG
(4-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=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(O)=O
Show InChI InChI=1S/C38H53N7O11/c1-20(2)31(37(55)40-19-30(49)50)45-38(56)32(21(3)4)44-35(53)27(15-16-29(47)48)42-36(54)28(18-23-9-7-6-8-10-23)43-33(51)22(5)41-34(52)26(39)17-24-11-13-25(46)14-12-24/h6-14,20-22,26-28,31-32,46H,15-19,39H2,1-5H3,(H,40,55)(H,41,52)(H,42,54)(H,43,51)(H,44,53)(H,45,56)(H,47,48)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1
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638n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu in rats by displacing [3H]-DAGO


J Med Chem 35: 4651-7 (1993)


Article DOI: 10.1021/jm00103a001
BindingDB Entry DOI: 10.7270/Q2M044BV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000507
PNG
((R)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=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/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26+,27+,28+,31+,32+/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by PDSP Ki Database




J Pharmacol Exp Ther 270: 1246-55 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9NN9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000507
PNG
((R)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=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/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26+,27+,28+,31+,32+/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 45: 330-4 (1994)


Article DOI: 10.1016/j.bioorg.2015.02.008
BindingDB Entry DOI: 10.7270/Q21Z42X1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50000507
PNG
((R)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=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/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26+,27+,28+,31+,32+/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 45: 330-4 (1994)


Article DOI: 10.1016/j.bioorg.2015.02.008
BindingDB Entry DOI: 10.7270/Q21Z42X1
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50111905
PNG
((S)-4-[(S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1c(C)cccc1C)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/C40H58N8O10/c1-20(2)33(39(57)43-19-31(42)50)48-40(58)34(21(3)4)47-37(55)29(15-16-32(51)52)45-38(56)30(18-27-22(5)9-8-10-23(27)6)46-35(53)24(7)44-36(54)28(41)17-25-11-13-26(49)14-12-25/h8-14,20-21,24,28-30,33-34,49H,15-19,41H2,1-7H3,(H2,42,50)(H,43,57)(H,44,54)(H,45,56)(H,46,53)(H,47,55)(H,48,58)(H,51,52)/t24-,28-,29-,30-,33-,34-/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity of the compound against Opioid receptor mu 1 using [3H]-DAMGO in rat brain synaptosomes was determined


Bioorg Med Chem Lett 12: 879-81 (2002)


Article DOI: 10.1016/s0960-894x(02)00035-5
BindingDB Entry DOI: 10.7270/Q2X34WSM
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000507
PNG
((R)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=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/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26+,27+,28+,31+,32+/m1/s1
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1.19E+3n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by PDSP Ki Database




Eur J Pharmacol 383: 209-14 (1999)


BindingDB Entry DOI: 10.7270/Q2TT4PJ9
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009185
PNG
(4-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=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(O)=O
Show InChI InChI=1S/C38H53N7O11/c1-20(2)31(37(55)40-19-30(49)50)45-38(56)32(21(3)4)44-35(53)27(15-16-29(47)48)42-36(54)28(18-23-9-7-6-8-10-23)43-33(51)22(5)41-34(52)26(39)17-24-11-13-25(46)14-12-24/h6-14,20-22,26-28,31-32,46H,15-19,39H2,1-5H3,(H,40,55)(H,41,52)(H,42,54)(H,43,51)(H,44,53)(H,45,56)(H,47,48)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1
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1.28E+3n/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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009185
PNG
(4-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=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(O)=O
Show InChI InChI=1S/C38H53N7O11/c1-20(2)31(37(55)40-19-30(49)50)45-38(56)32(21(3)4)44-35(53)27(15-16-29(47)48)42-36(54)28(18-23-9-7-6-8-10-23)43-33(51)22(5)41-34(52)26(39)17-24-11-13-25(46)14-12-24/h6-14,20-22,26-28,31-32,46H,15-19,39H2,1-5H3,(H,40,55)(H,41,52)(H,42,54)(H,43,51)(H,44,53)(H,45,56)(H,47,48)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1
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1.28E+3n/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 rat Opioid receptor mu 1


J Med Chem 35: 1222-7 (1992)


Article DOI: 10.1021/jm00085a009
BindingDB Entry DOI: 10.7270/Q29P30K2
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50057010
PNG
((S)-4-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H58N8O10/c1-6-22(3)33(39(57)43-21-31(42)50)48-40(58)34(23(4)7-2)47-37(55)29(17-18-32(51)52)45-38(56)30(20-25-11-9-8-10-12-25)46-35(53)24(5)44-36(54)28(41)19-26-13-15-27(49)16-14-26/h8-16,22-24,28-30,33-34,49H,6-7,17-21,41H2,1-5H3,(H2,42,50)(H,43,57)(H,44,54)(H,45,56)(H,46,53)(H,47,55)(H,48,58)(H,51,52)/t22-,23-,24+,28-,29-,30-,33-,34-/m0/s1
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1.90E+3n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by PDSP Ki Database




Eur J Pharmacol 383: 209-14 (1999)


BindingDB Entry DOI: 10.7270/Q2TT4PJ9
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50111904
PNG
((S)-4-[(R)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](Cc1c(C)cccc1C)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/C40H58N8O10/c1-20(2)33(39(57)43-19-31(42)50)48-40(58)34(21(3)4)47-37(55)29(15-16-32(51)52)45-38(56)30(18-27-22(5)9-8-10-23(27)6)46-35(53)24(7)44-36(54)28(41)17-25-11-13-26(49)14-12-25/h8-14,20-21,24,28-30,33-34,49H,15-19,41H2,1-7H3,(H2,42,50)(H,43,57)(H,44,54)(H,45,56)(H,46,53)(H,47,55)(H,48,58)(H,51,52)/t24-,28+,29+,30-,33+,34+/m1/s1
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1.96E+3n/an/an/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity of the compound against Opioid receptor mu 1 using [3H]-DAMGO in rat brain synaptosomes was determined


Bioorg Med Chem Lett 12: 879-81 (2002)


Article DOI: 10.1016/s0960-894x(02)00035-5
BindingDB Entry DOI: 10.7270/Q2X34WSM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50000507
PNG
((R)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=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/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26+,27+,28+,31+,32+/m1/s1
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2.08E+3n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001723
PNG
(4-[2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(N)cc1)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/C38H55N9O10/c1-19(2)31(37(56)42-18-29(41)49)47-38(57)32(20(3)4)46-35(54)27(14-15-30(50)51)44-36(55)28(17-23-6-10-24(39)11-7-23)45-33(52)21(5)43-34(53)26(40)16-22-8-12-25(48)13-9-22/h6-13,19-21,26-28,31-32,48H,14-18,39-40H2,1-5H3,(H2,41,49)(H,42,56)(H,43,53)(H,44,55)(H,45,52)(H,46,54)(H,47,57)(H,50,51)/t21-,26+,27+,28+,31+,32+/m1/s1
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2.46E+3n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu in rats by displacing [3H]-DAGO


J Med Chem 35: 4651-7 (1993)


Article DOI: 10.1021/jm00103a001
BindingDB Entry DOI: 10.7270/Q2M044BV
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50057010
PNG
((S)-4-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H58N8O10/c1-6-22(3)33(39(57)43-21-31(42)50)48-40(58)34(23(4)7-2)47-37(55)29(17-18-32(51)52)45-38(56)30(20-25-11-9-8-10-12-25)46-35(53)24(5)44-36(54)28(41)19-26-13-15-27(49)16-14-26/h8-16,22-24,28-30,33-34,49H,6-7,17-21,41H2,1-5H3,(H2,42,50)(H,43,57)(H,44,54)(H,45,56)(H,46,53)(H,47,55)(H,48,58)(H,51,52)/t22-,23-,24+,28-,29-,30-,33-,34-/m0/s1
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2.52E+3n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by PDSP Ki Database




Peptides 19: 1091-8 (1998)


Article DOI: 10.1111/cbdd.12593
BindingDB Entry DOI: 10.7270/Q2B27STB
More data for this
Ligand-Target Pair
OPRD1


(GUINEA PIG)
BDBM50000507
PNG
((R)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=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/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26+,27+,28+,31+,32+/m1/s1
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2.88E+3n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by PDSP Ki Database




Eur J Pharmacol 383: 209-14 (1999)


BindingDB Entry DOI: 10.7270/Q2TT4PJ9
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50057010
PNG
((S)-4-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H58N8O10/c1-6-22(3)33(39(57)43-21-31(42)50)48-40(58)34(23(4)7-2)47-37(55)29(17-18-32(51)52)45-38(56)30(20-25-11-9-8-10-12-25)46-35(53)24(5)44-36(54)28(41)19-26-13-15-27(49)16-14-26/h8-16,22-24,28-30,33-34,49H,6-7,17-21,41H2,1-5H3,(H2,42,50)(H,43,57)(H,44,54)(H,45,56)(H,46,53)(H,47,55)(H,48,58)(H,51,52)/t22-,23-,24+,28-,29-,30-,33-,34-/m0/s1
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3.19E+3n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured using [3H]- DAGO against Opioid receptor mu 1 of rat brain


J Med Chem 40: 990-5 (1997)


Article DOI: 10.1021/jm9602726
BindingDB Entry DOI: 10.7270/Q2RR1XCH
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50087065
PNG
(4-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H58N8O10/c1-6-22(3)33(39(57)43-21-31(42)50)48-40(58)34(23(4)7-2)47-37(55)29(17-18-32(51)52)45-38(56)30(20-25-11-9-8-10-12-25)46-35(53)24(5)44-36(54)28(41)19-26-13-15-27(49)16-14-26/h8-16,22-24,28-30,33-34,49H,6-7,17-21,41H2,1-5H3,(H2,42,50)(H,43,57)(H,44,54)(H,45,56)(H,46,53)(H,47,55)(H,48,58)(H,51,52)/t22-,23-,24-,28-,29-,30-,33-,34-/m0/s1
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3.19E+3n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinities against delta opioid receptor of rat brain using [3H]-DAMGO as radioligand.


J Med Chem 43: 1359-66 (2001)


Article DOI: 10.1021/jm9911534
BindingDB Entry DOI: 10.7270/Q2MS3S0S
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009146
PNG
((S)-4-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=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(O)=O
Show InChI InChI=1S/C38H53N7O11/c1-20(2)31(37(55)40-19-30(49)50)45-38(56)32(21(3)4)44-35(53)27(15-16-29(47)48)42-36(54)28(18-23-9-7-6-8-10-23)43-33(51)22(5)41-34(52)26(39)17-24-11-13-25(46)14-12-24/h6-14,20-22,26-28,31-32,46H,15-19,39H2,1-5H3,(H,40,55)(H,41,52)(H,42,54)(H,43,51)(H,44,53)(H,45,56)(H,47,48)(H,49,50)/t22-,26+,27+,28+,31+,32+/m1/s1
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5.85E+3n/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
Opioid receptor


(Rattus norvegicus (rat))
BDBM50057010
PNG
((S)-4-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H58N8O10/c1-6-22(3)33(39(57)43-21-31(42)50)48-40(58)34(23(4)7-2)47-37(55)29(17-18-32(51)52)45-38(56)30(20-25-11-9-8-10-12-25)46-35(53)24(5)44-36(54)28(41)19-26-13-15-27(49)16-14-26/h8-16,22-24,28-30,33-34,49H,6-7,17-21,41H2,1-5H3,(H2,42,50)(H,43,57)(H,44,54)(H,45,56)(H,46,53)(H,47,55)(H,48,58)(H,51,52)/t22-,23-,24+,28-,29-,30-,33-,34-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured using [3H]- U-69593 against Opioid receptor kappa 1 of rat brain


J Med Chem 40: 990-5 (1997)


Article DOI: 10.1021/jm9602726
BindingDB Entry DOI: 10.7270/Q2RR1XCH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000507
PNG
((R)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=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/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26+,27+,28+,31+,32+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000507
PNG
((R)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=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/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26+,27+,28+,31+,32+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50118658
PNG
(Ac-YAEIE | CHEMBL90294)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C30H43N5O12/c1-5-15(2)25(29(45)34-21(30(46)47)11-13-24(40)41)35-27(43)20(10-12-23(38)39)33-26(42)16(3)31-28(44)22(32-17(4)36)14-18-6-8-19(37)9-7-18/h6-9,15-16,20-22,25,37H,5,10-14H2,1-4H3,(H,31,44)(H,32,36)(H,33,42)(H,34,45)(H,35,43)(H,38,39)(H,40,41)(H,46,47)/t15-,16-,20-,21-,22-,25-/m0/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Mogam Biotechnology Research Institute

Curated by ChEMBL


Assay Description
Affinity for GST-Lck-SH2 domain in ELISA


Bioorg Med Chem Lett 12: 2711-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00523-1
BindingDB Entry DOI: 10.7270/Q2H131C3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50118653
PNG
(Ac-YEEIE | CHEMBL329886)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C32H45N5O14/c1-4-16(2)27(31(49)36-22(32(50)51)11-14-26(44)45)37-29(47)21(10-13-25(42)43)34-28(46)20(9-12-24(40)41)35-30(48)23(33-17(3)38)15-18-5-7-19(39)8-6-18/h5-8,16,20-23,27,39H,4,9-15H2,1-3H3,(H,33,38)(H,34,46)(H,35,48)(H,36,49)(H,37,47)(H,40,41)(H,42,43)(H,44,45)(H,50,51)/t16-,20-,21-,22-,23-,27-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Mogam Biotechnology Research Institute

Curated by ChEMBL


Assay Description
Affinity for GST-Lck-SH2 domain in ELISA


Bioorg Med Chem Lett 12: 2711-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00523-1
BindingDB Entry DOI: 10.7270/Q2H131C3
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50118653
PNG
(Ac-YEEIE | CHEMBL329886)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C32H45N5O14/c1-4-16(2)27(31(49)36-22(32(50)51)11-14-26(44)45)37-29(47)21(10-13-25(42)43)34-28(46)20(9-12-24(40)41)35-30(48)23(33-17(3)38)15-18-5-7-19(39)8-6-18/h5-8,16,20-23,27,39H,4,9-15H2,1-3H3,(H,33,38)(H,34,46)(H,35,48)(H,36,49)(H,37,47)(H,40,41)(H,42,43)(H,44,45)(H,50,51)/t16-,20-,21-,22-,23-,27-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Mogam Biotechnology Research Institute

Curated by ChEMBL


Assay Description
Affinity for GST-Fyn-SH2 domain in ELISA


Bioorg Med Chem Lett 12: 2711-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00523-1
BindingDB Entry DOI: 10.7270/Q2H131C3
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50118658
PNG
(Ac-YAEIE | CHEMBL90294)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C30H43N5O12/c1-5-15(2)25(29(45)34-21(30(46)47)11-13-24(40)41)35-27(43)20(10-12-23(38)39)33-26(42)16(3)31-28(44)22(32-17(4)36)14-18-6-8-19(37)9-7-18/h6-9,15-16,20-22,25,37H,5,10-14H2,1-4H3,(H,31,44)(H,32,36)(H,33,42)(H,34,45)(H,35,43)(H,38,39)(H,40,41)(H,46,47)/t15-,16-,20-,21-,22-,25-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Mogam Biotechnology Research Institute

Curated by ChEMBL


Assay Description
Affinity for GST-Fyn-SH2 domain in ELISA


Bioorg Med Chem Lett 12: 2711-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00523-1
BindingDB Entry DOI: 10.7270/Q2H131C3
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50281536
PNG
((S)-4-{(S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydrox...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C32H43N7O9S/c1-49-14-13-24(31(47)38-23(29(34)45)11-12-28(43)44)39-32(48)25(16-19-5-3-2-4-6-19)37-27(42)18-35-26(41)17-36-30(46)22(33)15-20-7-9-21(40)10-8-20/h2-10,22-25,40H,11-18,33H2,1H3,(H2,34,45)(H,35,41)(H,36,46)(H,37,42)(H,38,47)(H,39,48)(H,43,44)/t22-,23-,24-,25-/m0/s1
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n/an/a 204n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-DAGO binding to mu opioid receptor in crude rat brain homogenates


Bioorg Med Chem Lett 3: 405-412 (1993)


Article DOI: 10.1016/S0960-894X(01)80222-5
BindingDB Entry DOI: 10.7270/Q2VQ32MN
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009185
PNG
(4-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=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(O)=O
Show InChI InChI=1S/C38H53N7O11/c1-20(2)31(37(55)40-19-30(49)50)45-38(56)32(21(3)4)44-35(53)27(15-16-29(47)48)42-36(54)28(18-23-9-7-6-8-10-23)43-33(51)22(5)41-34(52)26(39)17-24-11-13-25(46)14-12-24/h6-14,20-22,26-28,31-32,46H,15-19,39H2,1-5H3,(H,40,55)(H,41,52)(H,42,54)(H,43,51)(H,44,53)(H,45,56)(H,47,48)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1
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n/an/a 184n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009185
PNG
(4-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=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(O)=O
Show InChI InChI=1S/C38H53N7O11/c1-20(2)31(37(55)40-19-30(49)50)45-38(56)32(21(3)4)44-35(53)27(15-16-29(47)48)42-36(54)28(18-23-9-7-6-8-10-23)43-33(51)22(5)41-34(52)26(39)17-24-11-13-25(46)14-12-24/h6-14,20-22,26-28,31-32,46H,15-19,39H2,1-5H3,(H,40,55)(H,41,52)(H,42,54)(H,43,51)(H,44,53)(H,45,56)(H,47,48)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1
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n/an/a 1.45E+4n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DAGO from opioid receptor mu in rat brain membrane


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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009193
PNG
((S)-4-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=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/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane


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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009193
PNG
((S)-4-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=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/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]- DAGO from opioid receptor mu in rat brain membrane


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)
BDBM50009193
PNG
((S)-4-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=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/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1
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n/an/a 0.75n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
In vitro opioid receptor delta mediated mouse vas deferens (MVD) assay


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)
BDBM50009185
PNG
(4-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=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(O)=O
Show InChI InChI=1S/C38H53N7O11/c1-20(2)31(37(55)40-19-30(49)50)45-38(56)32(21(3)4)44-35(53)27(15-16-29(47)48)42-36(54)28(18-23-9-7-6-8-10-23)43-33(51)22(5)41-34(52)26(39)17-24-11-13-25(46)14-12-24/h6-14,20-22,26-28,31-32,46H,15-19,39H2,1-5H3,(H,40,55)(H,41,52)(H,42,54)(H,43,51)(H,44,53)(H,45,56)(H,47,48)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1
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n/an/a 5.60n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
In vitro opioid receptor delta mediated mouse vas deferens (MVD) assay


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
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50009146
PNG
((S)-4-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=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(O)=O
Show InChI InChI=1S/C38H53N7O11/c1-20(2)31(37(55)40-19-30(49)50)45-38(56)32(21(3)4)44-35(53)27(15-16-29(47)48)42-36(54)28(18-23-9-7-6-8-10-23)43-33(51)22(5)41-34(52)26(39)17-24-11-13-25(46)14-12-24/h6-14,20-22,26-28,31-32,46H,15-19,39H2,1-5H3,(H,40,55)(H,41,52)(H,42,54)(H,43,51)(H,44,53)(H,45,56)(H,47,48)(H,49,50)/t22-,26+,27+,28+,31+,32+/m1/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for agonist activity against mu opioid receptor in guinea pig ileum


J Med Chem 37: 2125-8 (1994)


Article DOI: 10.1021/jm00040a002
BindingDB Entry DOI: 10.7270/Q2ZG6SWK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50009146
PNG
((S)-4-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=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(O)=O
Show InChI InChI=1S/C38H53N7O11/c1-20(2)31(37(55)40-19-30(49)50)45-38(56)32(21(3)4)44-35(53)27(15-16-29(47)48)42-36(54)28(18-23-9-7-6-8-10-23)43-33(51)22(5)41-34(52)26(39)17-24-11-13-25(46)14-12-24/h6-14,20-22,26-28,31-32,46H,15-19,39H2,1-5H3,(H,40,55)(H,41,52)(H,42,54)(H,43,51)(H,44,53)(H,45,56)(H,47,48)(H,49,50)/t22-,26+,27+,28+,31+,32+/m1/s1
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n/an/a 0.850n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for agonist activity against delta opioid receptor mouse vas deferens


J Med Chem 37: 2125-8 (1994)


Article DOI: 10.1021/jm00040a002
BindingDB Entry DOI: 10.7270/Q2ZG6SWK
More data for this
Ligand-Target Pair
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