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BDBM50042760 CHEMBL121946::H-Tyr-D-Ala-(R or S)CalphaMPhe-Asp-Val-Val-Gly-NH2

SMILES: CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@](C)(Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O

InChI Key: InChIKey=ANGDKQRQFHANRW-YENVRXEQSA-N

Data: 4 KI  4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50042760   
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))
BDBM50042760
PNG
(CHEMBL121946 | H-Tyr-D-Ala-(R or S)CalphaMPhe-Asp-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@](C)(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)30(35(54)41-19-28(40)48)45-36(55)31(21(3)4)44-34(53)27(17-29(49)50)43-37(56)38(6,18-24-10-8-7-9-11-24)46-32(51)22(5)42-33(52)26(39)16-23-12-14-25(47)15-13-23/h7-15,20-22,26-27,30-31,47H,16-19,39H2,1-6H3,(H2,40,48)(H,41,54)(H,42,52)(H,43,56)(H,44,53)(H,45,55)(H,46,51)(H,49,50)/t22-,26+,27+,30+,31+,38+/m1/s1
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49n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity was determined on delta [3H]-DPDPE site in rat brain synaptosomes by radioreceptor assay


J Med Chem 36: 3748-56 (1994)


Article DOI: 10.1021/jm00076a001
BindingDB Entry DOI: 10.7270/Q2D799HM
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50042760
PNG
(CHEMBL121946 | H-Tyr-D-Ala-(R or S)CalphaMPhe-Asp-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@](C)(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)30(35(54)41-19-28(40)48)45-36(55)31(21(3)4)44-34(53)27(17-29(49)50)43-37(56)38(6,18-24-10-8-7-9-11-24)46-32(51)22(5)42-33(52)26(39)16-23-12-14-25(47)15-13-23/h7-15,20-22,26-27,30-31,47H,16-19,39H2,1-6H3,(H2,40,48)(H,41,54)(H,42,52)(H,43,56)(H,44,53)(H,45,55)(H,46,51)(H,49,50)/t22-,26+,27+,30+,31+,38+/m1/s1
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69n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Tested for inhibition of amplification of electrically induced twitch in mouse vas deferens (MVD)


J Med Chem 36: 3748-56 (1994)


Article DOI: 10.1021/jm00076a001
BindingDB Entry DOI: 10.7270/Q2D799HM
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50042760
PNG
(CHEMBL121946 | H-Tyr-D-Ala-(R or S)CalphaMPhe-Asp-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@](C)(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)30(35(54)41-19-28(40)48)45-36(55)31(21(3)4)44-34(53)27(17-29(49)50)43-37(56)38(6,18-24-10-8-7-9-11-24)46-32(51)22(5)42-33(52)26(39)16-23-12-14-25(47)15-13-23/h7-15,20-22,26-27,30-31,47H,16-19,39H2,1-6H3,(H2,40,48)(H,41,54)(H,42,52)(H,43,56)(H,44,53)(H,45,55)(H,46,51)(H,49,50)/t22-,26+,27+,30+,31+,38+/m1/s1
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1.36E+3n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity was determined on mu [3H]-DAGO site in rat brain synaptosomes by radioreceptor assay


J Med Chem 36: 3748-56 (1994)


Article DOI: 10.1021/jm00076a001
BindingDB Entry DOI: 10.7270/Q2D799HM
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50042760
PNG
(CHEMBL121946 | H-Tyr-D-Ala-(R or S)CalphaMPhe-Asp-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@](C)(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)30(35(54)41-19-28(40)48)45-36(55)31(21(3)4)44-34(53)27(17-29(49)50)43-37(56)38(6,18-24-10-8-7-9-11-24)46-32(51)22(5)42-33(52)26(39)16-23-12-14-25(47)15-13-23/h7-15,20-22,26-27,30-31,47H,16-19,39H2,1-6H3,(H2,40,48)(H,41,54)(H,42,52)(H,43,56)(H,44,53)(H,45,55)(H,46,51)(H,49,50)/t22-,26+,27+,30+,31+,38+/m1/s1
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3.40E+3n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity was determined on mu [3H]-DAGO site in rat brain synaptosomes by radioreceptor assay


J Med Chem 36: 3748-56 (1994)


Article DOI: 10.1021/jm00076a001
BindingDB Entry DOI: 10.7270/Q2D799HM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50042760
PNG
(CHEMBL121946 | H-Tyr-D-Ala-(R or S)CalphaMPhe-Asp-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@](C)(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)30(35(54)41-19-28(40)48)45-36(55)31(21(3)4)44-34(53)27(17-29(49)50)43-37(56)38(6,18-24-10-8-7-9-11-24)46-32(51)22(5)42-33(52)26(39)16-23-12-14-25(47)15-13-23/h7-15,20-22,26-27,30-31,47H,16-19,39H2,1-6H3,(H2,40,48)(H,41,54)(H,42,52)(H,43,56)(H,44,53)(H,45,55)(H,46,51)(H,49,50)/t22-,26+,27+,30+,31+,38+/m1/s1
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n/an/a>10n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Tested for inhibition of amplification of electrically induced twitch in guinea pig ileum (GPI)


J Med Chem 36: 3748-56 (1994)


Article DOI: 10.1021/jm00076a001
BindingDB Entry DOI: 10.7270/Q2D799HM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50042760
PNG
(CHEMBL121946 | H-Tyr-D-Ala-(R or S)CalphaMPhe-Asp-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@](C)(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)30(35(54)41-19-28(40)48)45-36(55)31(21(3)4)44-34(53)27(17-29(49)50)43-37(56)38(6,18-24-10-8-7-9-11-24)46-32(51)22(5)42-33(52)26(39)16-23-12-14-25(47)15-13-23/h7-15,20-22,26-27,30-31,47H,16-19,39H2,1-6H3,(H2,40,48)(H,41,54)(H,42,52)(H,43,56)(H,44,53)(H,45,55)(H,46,51)(H,49,50)/t22-,26+,27+,30+,31+,38+/m1/s1
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n/an/a 554n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Tested for inhibition of amplification of electrically induced twitch in mouse vas deferens (MVD)


J Med Chem 36: 3748-56 (1994)


Article DOI: 10.1021/jm00076a001
BindingDB Entry DOI: 10.7270/Q2D799HM
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50042760
PNG
(CHEMBL121946 | H-Tyr-D-Ala-(R or S)CalphaMPhe-Asp-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@](C)(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)30(35(54)41-19-28(40)48)45-36(55)31(21(3)4)44-34(53)27(17-29(49)50)43-37(56)38(6,18-24-10-8-7-9-11-24)46-32(51)22(5)42-33(52)26(39)16-23-12-14-25(47)15-13-23/h7-15,20-22,26-27,30-31,47H,16-19,39H2,1-6H3,(H2,40,48)(H,41,54)(H,42,52)(H,43,56)(H,44,53)(H,45,55)(H,46,51)(H,49,50)/t22-,26+,27+,30+,31+,38+/m1/s1
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n/an/a>10n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity was determined on delta [3H]-DPDPE site in rat brain synaptosomes by radioreceptor assay


J Med Chem 36: 3748-56 (1994)


Article DOI: 10.1021/jm00076a001
BindingDB Entry DOI: 10.7270/Q2D799HM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50042760
PNG
(CHEMBL121946 | H-Tyr-D-Ala-(R or S)CalphaMPhe-Asp-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@](C)(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)30(35(54)41-19-28(40)48)45-36(55)31(21(3)4)44-34(53)27(17-29(49)50)43-37(56)38(6,18-24-10-8-7-9-11-24)46-32(51)22(5)42-33(52)26(39)16-23-12-14-25(47)15-13-23/h7-15,20-22,26-27,30-31,47H,16-19,39H2,1-6H3,(H2,40,48)(H,41,54)(H,42,52)(H,43,56)(H,44,53)(H,45,55)(H,46,51)(H,49,50)/t22-,26+,27+,30+,31+,38+/m1/s1
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n/an/a 498n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity was determined on delta [3H]-DPDPE site in rat brain synaptosomes by radioreceptor assay


J Med Chem 36: 3748-56 (1994)


Article DOI: 10.1021/jm00076a001
BindingDB Entry DOI: 10.7270/Q2D799HM
More data for this
Ligand-Target Pair