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BDBM50183555 CHEMBL408832::H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-Nle-D-Trp-1-Adoc

SMILES: CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1cn(C(=O)OC23CC4CC(CC(C4)C2)C3)c2ccccc12)C(O)=O

InChI Key: InChIKey=VVKBKPBAKDXLOT-UEJOTSENSA-N

Data: 6 KI  2 IC50  3 EC50

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 11 hits for monomerid = 50183555   
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


(Homo sapiens (Human))
BDBM50183555
PNG
(CHEMBL408832 | H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-N...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1cn(C(=O)OC23CC4CC(CC(C4)C2)C3)c2ccccc12)C(O)=O |TLB:72:73:70.71.76:77,THB:72:71:77:78.73.74,74:73:70:76.75.77,74:75:70:78.72.73|
Show InChI InChI=1S/C64H77N9O15/c1-3-4-18-47(58(80)70-52(62(85)86)30-44-36-73(53-19-12-11-17-46(44)53)63(87)88-64-32-41-24-42(33-64)26-43(25-41)34-64)67-59(81)48(31-55(76)77)68-60(82)50(28-39-15-9-6-10-16-39)72-71-49(27-38-13-7-5-8-14-38)57(79)65-35-54(75)66-37(2)56(78)69-51(61(83)84)29-40-20-22-45(74)23-21-40/h5-17,19-23,36-37,41-43,47-52,71-72,74H,3-4,18,24-35H2,1-2H3,(H,65,79)(H,66,75)(H,67,81)(H,68,82)(H,69,78)(H,70,80)(H,76,77)(H,83,84)(H,85,86)/t37-,41?,42?,43?,47+,48+,49+,50+,51+,52-,64?/m1/s1
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PubMed
0.230n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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


J Med Chem 49: 1773-80 (2006)


Article DOI: 10.1021/jm050851n
BindingDB Entry DOI: 10.7270/Q2FT8MVM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50183555
PNG
(CHEMBL408832 | H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-N...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1cn(C(=O)OC23CC4CC(CC(C4)C2)C3)c2ccccc12)C(O)=O |TLB:72:73:70.71.76:77,THB:72:71:77:78.73.74,74:73:70:76.75.77,74:75:70:78.72.73|
Show InChI InChI=1S/C64H77N9O15/c1-3-4-18-47(58(80)70-52(62(85)86)30-44-36-73(53-19-12-11-17-46(44)53)63(87)88-64-32-41-24-42(33-64)26-43(25-41)34-64)67-59(81)48(31-55(76)77)68-60(82)50(28-39-15-9-6-10-16-39)72-71-49(27-38-13-7-5-8-14-38)57(79)65-35-54(75)66-37(2)56(78)69-51(61(83)84)29-40-20-22-45(74)23-21-40/h5-17,19-23,36-37,41-43,47-52,71-72,74H,3-4,18,24-35H2,1-2H3,(H,65,79)(H,66,75)(H,67,81)(H,68,82)(H,69,78)(H,70,80)(H,76,77)(H,83,84)(H,85,86)/t37-,41?,42?,43?,47+,48+,49+,50+,51+,52-,64?/m1/s1
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88n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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


J Med Chem 49: 1773-80 (2006)


Article DOI: 10.1021/jm050851n
BindingDB Entry DOI: 10.7270/Q2FT8MVM
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50183555
PNG
(CHEMBL408832 | H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-N...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1cn(C(=O)OC23CC4CC(CC(C4)C2)C3)c2ccccc12)C(O)=O |TLB:72:73:70.71.76:77,THB:72:71:77:78.73.74,74:73:70:76.75.77,74:75:70:78.72.73|
Show InChI InChI=1S/C64H77N9O15/c1-3-4-18-47(58(80)70-52(62(85)86)30-44-36-73(53-19-12-11-17-46(44)53)63(87)88-64-32-41-24-42(33-64)26-43(25-41)34-64)67-59(81)48(31-55(76)77)68-60(82)50(28-39-15-9-6-10-16-39)72-71-49(27-38-13-7-5-8-14-38)57(79)65-35-54(75)66-37(2)56(78)69-51(61(83)84)29-40-20-22-45(74)23-21-40/h5-17,19-23,36-37,41-43,47-52,71-72,74H,3-4,18,24-35H2,1-2H3,(H,65,79)(H,66,75)(H,67,81)(H,68,82)(H,69,78)(H,70,80)(H,76,77)(H,83,84)(H,85,86)/t37-,41?,42?,43?,47+,48+,49+,50+,51+,52-,64?/m1/s1
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560n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK8 from human CCK2 receptor expressed in HEK293 cells


J Med Chem 49: 1773-80 (2006)


Article DOI: 10.1021/jm050851n
BindingDB Entry DOI: 10.7270/Q2FT8MVM
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50183555
PNG
(CHEMBL408832 | H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-N...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1cn(C(=O)OC23CC4CC(CC(C4)C2)C3)c2ccccc12)C(O)=O |TLB:72:73:70.71.76:77,THB:72:71:77:78.73.74,74:73:70:76.75.77,74:75:70:78.72.73|
Show InChI InChI=1S/C64H77N9O15/c1-3-4-18-47(58(80)70-52(62(85)86)30-44-36-73(53-19-12-11-17-46(44)53)63(87)88-64-32-41-24-42(33-64)26-43(25-41)34-64)67-59(81)48(31-55(76)77)68-60(82)50(28-39-15-9-6-10-16-39)72-71-49(27-38-13-7-5-8-14-38)57(79)65-35-54(75)66-37(2)56(78)69-51(61(83)84)29-40-20-22-45(74)23-21-40/h5-17,19-23,36-37,41-43,47-52,71-72,74H,3-4,18,24-35H2,1-2H3,(H,65,79)(H,66,75)(H,67,81)(H,68,82)(H,69,78)(H,70,80)(H,76,77)(H,83,84)(H,85,86)/t37-,41?,42?,43?,47+,48+,49+,50+,51+,52-,64?/m1/s1
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560n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK8 from human CCK2 receptor expressed in HEK293 cells


J Med Chem 49: 1773-80 (2006)


Article DOI: 10.1021/jm050851n
BindingDB Entry DOI: 10.7270/Q2FT8MVM
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50183555
PNG
(CHEMBL408832 | H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-N...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1cn(C(=O)OC23CC4CC(CC(C4)C2)C3)c2ccccc12)C(O)=O |TLB:72:73:70.71.76:77,THB:72:71:77:78.73.74,74:73:70:76.75.77,74:75:70:78.72.73|
Show InChI InChI=1S/C64H77N9O15/c1-3-4-18-47(58(80)70-52(62(85)86)30-44-36-73(53-19-12-11-17-46(44)53)63(87)88-64-32-41-24-42(33-64)26-43(25-41)34-64)67-59(81)48(31-55(76)77)68-60(82)50(28-39-15-9-6-10-16-39)72-71-49(27-38-13-7-5-8-14-38)57(79)65-35-54(75)66-37(2)56(78)69-51(61(83)84)29-40-20-22-45(74)23-21-40/h5-17,19-23,36-37,41-43,47-52,71-72,74H,3-4,18,24-35H2,1-2H3,(H,65,79)(H,66,75)(H,67,81)(H,68,82)(H,69,78)(H,70,80)(H,76,77)(H,83,84)(H,85,86)/t37-,41?,42?,43?,47+,48+,49+,50+,51+,52-,64?/m1/s1
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840n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK8 from human CCK1 receptor expressed in HEK293 cells


J Med Chem 49: 1773-80 (2006)


Article DOI: 10.1021/jm050851n
BindingDB Entry DOI: 10.7270/Q2FT8MVM
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50183555
PNG
(CHEMBL408832 | H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-N...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1cn(C(=O)OC23CC4CC(CC(C4)C2)C3)c2ccccc12)C(O)=O |TLB:72:73:70.71.76:77,THB:72:71:77:78.73.74,74:73:70:76.75.77,74:75:70:78.72.73|
Show InChI InChI=1S/C64H77N9O15/c1-3-4-18-47(58(80)70-52(62(85)86)30-44-36-73(53-19-12-11-17-46(44)53)63(87)88-64-32-41-24-42(33-64)26-43(25-41)34-64)67-59(81)48(31-55(76)77)68-60(82)50(28-39-15-9-6-10-16-39)72-71-49(27-38-13-7-5-8-14-38)57(79)65-35-54(75)66-37(2)56(78)69-51(61(83)84)29-40-20-22-45(74)23-21-40/h5-17,19-23,36-37,41-43,47-52,71-72,74H,3-4,18,24-35H2,1-2H3,(H,65,79)(H,66,75)(H,67,81)(H,68,82)(H,69,78)(H,70,80)(H,76,77)(H,83,84)(H,85,86)/t37-,41?,42?,43?,47+,48+,49+,50+,51+,52-,64?/m1/s1
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840n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK8 from human CCK1 receptor expressed in HEK293 cells


J Med Chem 49: 1773-80 (2006)


Article DOI: 10.1021/jm050851n
BindingDB Entry DOI: 10.7270/Q2FT8MVM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50183555
PNG
(CHEMBL408832 | H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-N...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1cn(C(=O)OC23CC4CC(CC(C4)C2)C3)c2ccccc12)C(O)=O |TLB:72:73:70.71.76:77,THB:72:71:77:78.73.74,74:73:70:76.75.77,74:75:70:78.72.73|
Show InChI InChI=1S/C64H77N9O15/c1-3-4-18-47(58(80)70-52(62(85)86)30-44-36-73(53-19-12-11-17-46(44)53)63(87)88-64-32-41-24-42(33-64)26-43(25-41)34-64)67-59(81)48(31-55(76)77)68-60(82)50(28-39-15-9-6-10-16-39)72-71-49(27-38-13-7-5-8-14-38)57(79)65-35-54(75)66-37(2)56(78)69-51(61(83)84)29-40-20-22-45(74)23-21-40/h5-17,19-23,36-37,41-43,47-52,71-72,74H,3-4,18,24-35H2,1-2H3,(H,65,79)(H,66,75)(H,67,81)(H,68,82)(H,69,78)(H,70,80)(H,76,77)(H,83,84)(H,85,86)/t37-,41?,42?,43?,47+,48+,49+,50+,51+,52-,64?/m1/s1
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n/an/a 38n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor by inhibition of muscle contraction in electrically stimulated isolated mouse vas deferens


J Med Chem 49: 1773-80 (2006)


Article DOI: 10.1021/jm050851n
BindingDB Entry DOI: 10.7270/Q2FT8MVM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50183555
PNG
(CHEMBL408832 | H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-N...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1cn(C(=O)OC23CC4CC(CC(C4)C2)C3)c2ccccc12)C(O)=O |TLB:72:73:70.71.76:77,THB:72:71:77:78.73.74,74:73:70:76.75.77,74:75:70:78.72.73|
Show InChI InChI=1S/C64H77N9O15/c1-3-4-18-47(58(80)70-52(62(85)86)30-44-36-73(53-19-12-11-17-46(44)53)63(87)88-64-32-41-24-42(33-64)26-43(25-41)34-64)67-59(81)48(31-55(76)77)68-60(82)50(28-39-15-9-6-10-16-39)72-71-49(27-38-13-7-5-8-14-38)57(79)65-35-54(75)66-37(2)56(78)69-51(61(83)84)29-40-20-22-45(74)23-21-40/h5-17,19-23,36-37,41-43,47-52,71-72,74H,3-4,18,24-35H2,1-2H3,(H,65,79)(H,66,75)(H,67,81)(H,68,82)(H,69,78)(H,70,80)(H,76,77)(H,83,84)(H,85,86)/t37-,41?,42?,43?,47+,48+,49+,50+,51+,52-,64?/m1/s1
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n/an/a 640n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor by inhibition of muscle contraction in electrically stimulated isolated guinea pig ileum


J Med Chem 49: 1773-80 (2006)


Article DOI: 10.1021/jm050851n
BindingDB Entry DOI: 10.7270/Q2FT8MVM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50183555
PNG
(CHEMBL408832 | H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-N...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1cn(C(=O)OC23CC4CC(CC(C4)C2)C3)c2ccccc12)C(O)=O |TLB:72:73:70.71.76:77,THB:72:71:77:78.73.74,74:73:70:76.75.77,74:75:70:78.72.73|
Show InChI InChI=1S/C64H77N9O15/c1-3-4-18-47(58(80)70-52(62(85)86)30-44-36-73(53-19-12-11-17-46(44)53)63(87)88-64-32-41-24-42(33-64)26-43(25-41)34-64)67-59(81)48(31-55(76)77)68-60(82)50(28-39-15-9-6-10-16-39)72-71-49(27-38-13-7-5-8-14-38)57(79)65-35-54(75)66-37(2)56(78)69-51(61(83)84)29-40-20-22-45(74)23-21-40/h5-17,19-23,36-37,41-43,47-52,71-72,74H,3-4,18,24-35H2,1-2H3,(H,65,79)(H,66,75)(H,67,81)(H,68,82)(H,69,78)(H,70,80)(H,76,77)(H,83,84)(H,85,86)/t37-,41?,42?,43?,47+,48+,49+,50+,51+,52-,64?/m1/s1
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n/an/an/an/a 28n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human delta opioid receptor expressed in CHO cells


J Med Chem 49: 1773-80 (2006)


Article DOI: 10.1021/jm050851n
BindingDB Entry DOI: 10.7270/Q2FT8MVM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50183555
PNG
(CHEMBL408832 | H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-N...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1cn(C(=O)OC23CC4CC(CC(C4)C2)C3)c2ccccc12)C(O)=O |TLB:72:73:70.71.76:77,THB:72:71:77:78.73.74,74:73:70:76.75.77,74:75:70:78.72.73|
Show InChI InChI=1S/C64H77N9O15/c1-3-4-18-47(58(80)70-52(62(85)86)30-44-36-73(53-19-12-11-17-46(44)53)63(87)88-64-32-41-24-42(33-64)26-43(25-41)34-64)67-59(81)48(31-55(76)77)68-60(82)50(28-39-15-9-6-10-16-39)72-71-49(27-38-13-7-5-8-14-38)57(79)65-35-54(75)66-37(2)56(78)69-51(61(83)84)29-40-20-22-45(74)23-21-40/h5-17,19-23,36-37,41-43,47-52,71-72,74H,3-4,18,24-35H2,1-2H3,(H,65,79)(H,66,75)(H,67,81)(H,68,82)(H,69,78)(H,70,80)(H,76,77)(H,83,84)(H,85,86)/t37-,41?,42?,43?,47+,48+,49+,50+,51+,52-,64?/m1/s1
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n/an/an/an/a 10n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to rat mu opioid receptor expressed in CHO cells


J Med Chem 49: 1773-80 (2006)


Article DOI: 10.1021/jm050851n
BindingDB Entry DOI: 10.7270/Q2FT8MVM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50183555
PNG
(CHEMBL408832 | H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-N...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1cn(C(=O)OC23CC4CC(CC(C4)C2)C3)c2ccccc12)C(O)=O |TLB:72:73:70.71.76:77,THB:72:71:77:78.73.74,74:73:70:76.75.77,74:75:70:78.72.73|
Show InChI InChI=1S/C64H77N9O15/c1-3-4-18-47(58(80)70-52(62(85)86)30-44-36-73(53-19-12-11-17-46(44)53)63(87)88-64-32-41-24-42(33-64)26-43(25-41)34-64)67-59(81)48(31-55(76)77)68-60(82)50(28-39-15-9-6-10-16-39)72-71-49(27-38-13-7-5-8-14-38)57(79)65-35-54(75)66-37(2)56(78)69-51(61(83)84)29-40-20-22-45(74)23-21-40/h5-17,19-23,36-37,41-43,47-52,71-72,74H,3-4,18,24-35H2,1-2H3,(H,65,79)(H,66,75)(H,67,81)(H,68,82)(H,69,78)(H,70,80)(H,76,77)(H,83,84)(H,85,86)/t37-,41?,42?,43?,47+,48+,49+,50+,51+,52-,64?/m1/s1
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PubMed
n/an/an/an/a 10n/an/an/an/a



University of Arizona

Curated by ChEMBL


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


J Med Chem 49: 1773-80 (2006)


Article DOI: 10.1021/jm050851n
BindingDB Entry DOI: 10.7270/Q2FT8MVM
More data for this
Ligand-Target Pair