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Compile Data Set for Download or QSAR

Found 101 hits Enz. Inhib. hit(s) with all data for entry = 50037672   
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))
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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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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50183552
PNG
(CHEMBL412331 | H-Tyr-D-Ala-Gly-Phe-NH-NH-(NMe)Phe-...)
Show SMILES CCCC[C@H](N(C(=O)Nc1ccccc1Cl)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)N(C)N[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(C)=O)c2ccccc12)C(O)=O
Show InChI InChI=1S/C63H71ClN10O15/c1-5-6-24-52(58(82)69-50(62(87)88)33-42-36-73(38(3)75)51-25-16-13-21-44(42)51)74(63(89)70-46-23-15-14-22-45(46)64)60(84)48(34-55(78)79)67-59(83)53(32-40-19-11-8-12-20-40)72(4)71-47(30-39-17-9-7-10-18-39)57(81)65-35-54(77)66-37(2)56(80)68-49(61(85)86)31-41-26-28-43(76)29-27-41/h7-23,25-29,36-37,47-50,52-53,71,76H,5-6,24,30-35H2,1-4H3,(H,65,81)(H,66,77)(H,67,83)(H,68,80)(H,69,82)(H,70,89)(H,78,79)(H,85,86)(H,87,88)/t37-,47+,48+,49+,50+,52+,53+/m1/s1
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0.480n/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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50183553
PNG
(CHEMBL375412 | 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](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C53H63N9O13/c1-3-4-18-39(49(69)60-44(53(74)75)27-35-29-54-38-19-12-11-17-37(35)38)57-50(70)40(28-46(65)66)58-51(71)42(25-33-15-9-6-10-16-33)62-61-41(24-32-13-7-5-8-14-32)48(68)55-30-45(64)56-31(2)47(67)59-43(52(72)73)26-34-20-22-36(63)23-21-34/h5-17,19-23,29,31,39-44,54,61-63H,3-4,18,24-28,30H2,1-2H3,(H,55,68)(H,56,64)(H,57,70)(H,58,71)(H,59,67)(H,60,69)(H,65,66)(H,72,73)(H,74,75)/t31-,39+,40+,41+,42+,43+,44-/m1/s1
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0.510n/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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50183559
PNG
(CHEMBL374325 | Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-NMe...)
Show SMILES CCCC[C@H](N(C)C(=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)OC(C)(C)C)c2ccccc12)C(O)=O
Show InChI InChI=1S/C59H73N9O15/c1-7-8-22-48(54(76)64-46(57(80)81)31-39-34-68(58(82)83-59(3,4)5)47-23-16-15-21-41(39)47)67(6)55(77)44(32-50(71)72)62-53(75)43(29-37-19-13-10-14-20-37)66-65-42(28-36-17-11-9-12-18-36)52(74)60-33-49(70)61-35(2)51(73)63-45(56(78)79)30-38-24-26-40(69)27-25-38/h9-21,23-27,34-35,42-46,48,65-66,69H,7-8,22,28-33H2,1-6H3,(H,60,74)(H,61,70)(H,62,75)(H,63,73)(H,64,76)(H,71,72)(H,78,79)(H,80,81)/t35-,42+,43+,44+,45+,46-,48+/m1/s1
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0.820n/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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50183552
PNG
(CHEMBL412331 | H-Tyr-D-Ala-Gly-Phe-NH-NH-(NMe)Phe-...)
Show SMILES CCCC[C@H](N(C(=O)Nc1ccccc1Cl)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)N(C)N[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(C)=O)c2ccccc12)C(O)=O
Show InChI InChI=1S/C63H71ClN10O15/c1-5-6-24-52(58(82)69-50(62(87)88)33-42-36-73(38(3)75)51-25-16-13-21-44(42)51)74(63(89)70-46-23-15-14-22-45(46)64)60(84)48(34-55(78)79)67-59(83)53(32-40-19-11-8-12-20-40)72(4)71-47(30-39-17-9-7-10-18-39)57(81)65-35-54(77)66-37(2)56(80)68-49(61(85)86)31-41-26-28-43(76)29-27-41/h7-23,25-29,36-37,47-50,52-53,71,76H,5-6,24,30-35H2,1-4H3,(H,65,81)(H,66,77)(H,67,83)(H,68,80)(H,69,82)(H,70,89)(H,78,79)(H,85,86)(H,87,88)/t37-,47+,48+,49+,50+,52+,53+/m1/s1
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0.920n/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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50183553
PNG
(CHEMBL375412 | 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](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C53H63N9O13/c1-3-4-18-39(49(69)60-44(53(74)75)27-35-29-54-38-19-12-11-17-37(35)38)57-50(70)40(28-46(65)66)58-51(71)42(25-33-15-9-6-10-16-33)62-61-41(24-32-13-7-5-8-14-32)48(68)55-30-45(64)56-31(2)47(67)59-43(52(72)73)26-34-20-22-36(63)23-21-34/h5-17,19-23,29,31,39-44,54,61-63H,3-4,18,24-28,30H2,1-2H3,(H,55,68)(H,56,64)(H,57,70)(H,58,71)(H,59,67)(H,60,69)(H,65,66)(H,72,73)(H,74,75)/t31-,39+,40+,41+,42+,43+,44-/m1/s1
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1.40n/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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50183554
PNG
(CHEMBL438739 | 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)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(O)=O |wU:61.63,16.24,26.26,4.4,wD:8.12,41.43,46.47,TLB:68:69:71.78.72:76.74.75,78:77:75:71.72.73,THB:68:69:75:71.72.73,78:72:69.77.76:75,73:72:69:76.74.75,73:74:69:71.78.72,(22.46,-1.18,;21.14,-1.97,;21.15,-3.51,;19.82,-4.28,;19.82,-5.82,;18.49,-6.58,;17.15,-5.81,;17.15,-4.28,;15.82,-6.58,;15.82,-8.12,;17.15,-8.89,;18.48,-8.12,;17.15,-10.44,;14.49,-5.81,;13.15,-6.58,;13.15,-8.12,;11.82,-5.81,;11.82,-4.28,;13.15,-3.5,;14.49,-4.27,;15.82,-3.51,;15.82,-1.97,;14.5,-1.19,;13.16,-1.96,;10.49,-6.58,;9.17,-5.81,;7.82,-6.58,;7.82,-8.13,;6.49,-8.9,;5.15,-8.13,;3.82,-8.9,;3.82,-10.45,;5.15,-11.22,;6.49,-10.45,;6.49,-5.82,;6.48,-4.27,;5.15,-6.59,;3.81,-5.82,;2.47,-6.59,;2.47,-8.13,;1.13,-5.82,;-.2,-6.59,;-.2,-8.13,;-1.54,-5.82,;-1.54,-4.27,;-2.88,-6.59,;-4.22,-5.82,;-4.22,-4.27,;-5.55,-3.5,;-6.89,-4.27,;-8.23,-3.5,;-8.23,-1.96,;-9.57,-1.19,;-6.89,-1.19,;-5.55,-1.96,;-5.55,-6.59,;-6.89,-5.82,;-5.55,-8.14,;21.15,-6.59,;21.15,-8.13,;22.48,-5.82,;23.82,-6.59,;23.82,-8.14,;25.15,-8.91,;26.56,-8.28,;27.58,-9.43,;29.12,-9.27,;29.75,-7.87,;30.02,-10.52,;31.55,-10.36,;32.75,-9.08,;34.07,-9.57,;35.47,-9.23,;35.48,-7.7,;34.09,-7.12,;32.74,-7.6,;33.05,-8.35,;33.05,-9.94,;34.46,-10.51,;26.81,-10.76,;27.29,-12.23,;26.26,-13.37,;24.75,-13.04,;24.27,-11.58,;25.31,-10.44,;25.15,-5.83,;26.49,-6.6,;25.15,-4.28,)|
Show InChI InChI=1S/C64H77N9O15/c1-3-4-18-47(59(80)70-52(63(85)86)32-44-35-73(53-19-12-11-17-46(44)53)64(87)88-56-42-25-40-24-41(27-42)28-43(56)26-40)67-60(81)48(33-55(76)77)68-61(82)50(30-38-15-9-6-10-16-38)72-71-49(29-37-13-7-5-8-14-37)58(79)65-34-54(75)66-36(2)57(78)69-51(62(83)84)31-39-20-22-45(74)23-21-39/h5-17,19-23,35-36,40-43,47-52,56,71-72,74H,3-4,18,24-34H2,1-2H3,(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)/t36-,40?,41?,42?,43?,47+,48+,49+,50+,51+,52-,56?/m1/s1
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3.40n/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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50183556
PNG
(CHEMBL408889 | H-Tyr-D-Ala-Gly-Phe-NH-NH-(NMe)Phe-...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)N(C)N[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(C)=O)c2ccccc12)C(O)=O
Show InChI InChI=1S/C56H67N9O14/c1-5-6-20-41(52(73)62-45(56(78)79)29-38-32-65(34(3)66)46-21-14-13-19-40(38)46)59-53(74)42(30-49(69)70)60-54(75)47(28-36-17-11-8-12-18-36)64(4)63-43(26-35-15-9-7-10-16-35)51(72)57-31-48(68)58-33(2)50(71)61-44(55(76)77)27-37-22-24-39(67)25-23-37/h7-19,21-25,32-33,41-45,47,63,67H,5-6,20,26-31H2,1-4H3,(H,57,72)(H,58,68)(H,59,74)(H,60,75)(H,61,71)(H,62,73)(H,69,70)(H,76,77)(H,78,79)/t33-,41+,42+,43+,44+,45+,47+/m1/s1
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5.30n/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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50183556
PNG
(CHEMBL408889 | H-Tyr-D-Ala-Gly-Phe-NH-NH-(NMe)Phe-...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)N(C)N[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(C)=O)c2ccccc12)C(O)=O
Show InChI InChI=1S/C56H67N9O14/c1-5-6-20-41(52(73)62-45(56(78)79)29-38-32-65(34(3)66)46-21-14-13-19-40(38)46)59-53(74)42(30-49(69)70)60-54(75)47(28-36-17-11-8-12-18-36)64(4)63-43(26-35-15-9-7-10-16-35)51(72)57-31-48(68)58-33(2)50(71)61-44(55(76)77)27-37-22-24-39(67)25-23-37/h7-19,21-25,32-33,41-45,47,63,67H,5-6,20,26-31H2,1-4H3,(H,57,72)(H,58,68)(H,59,74)(H,60,75)(H,61,71)(H,62,73)(H,69,70)(H,76,77)(H,78,79)/t33-,41+,42+,43+,44+,45+,47+/m1/s1
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5.30n/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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50183554
PNG
(CHEMBL438739 | 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)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(O)=O |wU:61.63,16.24,26.26,4.4,wD:8.12,41.43,46.47,TLB:68:69:71.78.72:76.74.75,78:77:75:71.72.73,THB:68:69:75:71.72.73,78:72:69.77.76:75,73:72:69:76.74.75,73:74:69:71.78.72,(22.46,-1.18,;21.14,-1.97,;21.15,-3.51,;19.82,-4.28,;19.82,-5.82,;18.49,-6.58,;17.15,-5.81,;17.15,-4.28,;15.82,-6.58,;15.82,-8.12,;17.15,-8.89,;18.48,-8.12,;17.15,-10.44,;14.49,-5.81,;13.15,-6.58,;13.15,-8.12,;11.82,-5.81,;11.82,-4.28,;13.15,-3.5,;14.49,-4.27,;15.82,-3.51,;15.82,-1.97,;14.5,-1.19,;13.16,-1.96,;10.49,-6.58,;9.17,-5.81,;7.82,-6.58,;7.82,-8.13,;6.49,-8.9,;5.15,-8.13,;3.82,-8.9,;3.82,-10.45,;5.15,-11.22,;6.49,-10.45,;6.49,-5.82,;6.48,-4.27,;5.15,-6.59,;3.81,-5.82,;2.47,-6.59,;2.47,-8.13,;1.13,-5.82,;-.2,-6.59,;-.2,-8.13,;-1.54,-5.82,;-1.54,-4.27,;-2.88,-6.59,;-4.22,-5.82,;-4.22,-4.27,;-5.55,-3.5,;-6.89,-4.27,;-8.23,-3.5,;-8.23,-1.96,;-9.57,-1.19,;-6.89,-1.19,;-5.55,-1.96,;-5.55,-6.59,;-6.89,-5.82,;-5.55,-8.14,;21.15,-6.59,;21.15,-8.13,;22.48,-5.82,;23.82,-6.59,;23.82,-8.14,;25.15,-8.91,;26.56,-8.28,;27.58,-9.43,;29.12,-9.27,;29.75,-7.87,;30.02,-10.52,;31.55,-10.36,;32.75,-9.08,;34.07,-9.57,;35.47,-9.23,;35.48,-7.7,;34.09,-7.12,;32.74,-7.6,;33.05,-8.35,;33.05,-9.94,;34.46,-10.51,;26.81,-10.76,;27.29,-12.23,;26.26,-13.37,;24.75,-13.04,;24.27,-11.58,;25.31,-10.44,;25.15,-5.83,;26.49,-6.6,;25.15,-4.28,)|
Show InChI InChI=1S/C64H77N9O15/c1-3-4-18-47(59(80)70-52(63(85)86)32-44-35-73(53-19-12-11-17-46(44)53)64(87)88-56-42-25-40-24-41(27-42)28-43(56)26-40)67-60(81)48(33-55(76)77)68-61(82)50(30-38-15-9-6-10-16-38)72-71-49(29-37-13-7-5-8-14-37)58(79)65-34-54(75)66-36(2)57(78)69-51(62(83)84)31-39-20-22-45(74)23-21-39/h5-17,19-23,35-36,40-43,47-52,56,71-72,74H,3-4,18,24-34H2,1-2H3,(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)/t36-,40?,41?,42?,43?,47+,48+,49+,50+,51+,52-,56?/m1/s1
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16n/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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50183554
PNG
(CHEMBL438739 | 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)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(O)=O |wU:61.63,16.24,26.26,4.4,wD:8.12,41.43,46.47,TLB:68:69:71.78.72:76.74.75,78:77:75:71.72.73,THB:68:69:75:71.72.73,78:72:69.77.76:75,73:72:69:76.74.75,73:74:69:71.78.72,(22.46,-1.18,;21.14,-1.97,;21.15,-3.51,;19.82,-4.28,;19.82,-5.82,;18.49,-6.58,;17.15,-5.81,;17.15,-4.28,;15.82,-6.58,;15.82,-8.12,;17.15,-8.89,;18.48,-8.12,;17.15,-10.44,;14.49,-5.81,;13.15,-6.58,;13.15,-8.12,;11.82,-5.81,;11.82,-4.28,;13.15,-3.5,;14.49,-4.27,;15.82,-3.51,;15.82,-1.97,;14.5,-1.19,;13.16,-1.96,;10.49,-6.58,;9.17,-5.81,;7.82,-6.58,;7.82,-8.13,;6.49,-8.9,;5.15,-8.13,;3.82,-8.9,;3.82,-10.45,;5.15,-11.22,;6.49,-10.45,;6.49,-5.82,;6.48,-4.27,;5.15,-6.59,;3.81,-5.82,;2.47,-6.59,;2.47,-8.13,;1.13,-5.82,;-.2,-6.59,;-.2,-8.13,;-1.54,-5.82,;-1.54,-4.27,;-2.88,-6.59,;-4.22,-5.82,;-4.22,-4.27,;-5.55,-3.5,;-6.89,-4.27,;-8.23,-3.5,;-8.23,-1.96,;-9.57,-1.19,;-6.89,-1.19,;-5.55,-1.96,;-5.55,-6.59,;-6.89,-5.82,;-5.55,-8.14,;21.15,-6.59,;21.15,-8.13,;22.48,-5.82,;23.82,-6.59,;23.82,-8.14,;25.15,-8.91,;26.56,-8.28,;27.58,-9.43,;29.12,-9.27,;29.75,-7.87,;30.02,-10.52,;31.55,-10.36,;32.75,-9.08,;34.07,-9.57,;35.47,-9.23,;35.48,-7.7,;34.09,-7.12,;32.74,-7.6,;33.05,-8.35,;33.05,-9.94,;34.46,-10.51,;26.81,-10.76,;27.29,-12.23,;26.26,-13.37,;24.75,-13.04,;24.27,-11.58,;25.31,-10.44,;25.15,-5.83,;26.49,-6.6,;25.15,-4.28,)|
Show InChI InChI=1S/C64H77N9O15/c1-3-4-18-47(59(80)70-52(63(85)86)32-44-35-73(53-19-12-11-17-46(44)53)64(87)88-56-42-25-40-24-41(27-42)28-43(56)26-40)67-60(81)48(33-55(76)77)68-61(82)50(30-38-15-9-6-10-16-38)72-71-49(29-37-13-7-5-8-14-37)58(79)65-34-54(75)66-36(2)57(78)69-51(62(83)84)31-39-20-22-45(74)23-21-39/h5-17,19-23,35-36,40-43,47-52,56,71-72,74H,3-4,18,24-34H2,1-2H3,(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)/t36-,40?,41?,42?,43?,47+,48+,49+,50+,51+,52-,56?/m1/s1
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16n/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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50183559
PNG
(CHEMBL374325 | Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-NMe...)
Show SMILES CCCC[C@H](N(C)C(=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)OC(C)(C)C)c2ccccc12)C(O)=O
Show InChI InChI=1S/C59H73N9O15/c1-7-8-22-48(54(76)64-46(57(80)81)31-39-34-68(58(82)83-59(3,4)5)47-23-16-15-21-41(39)47)67(6)55(77)44(32-50(71)72)62-53(75)43(29-37-19-13-10-14-20-37)66-65-42(28-36-17-11-9-12-18-36)52(74)60-33-49(70)61-35(2)51(73)63-45(56(78)79)30-38-24-26-40(69)27-25-38/h9-21,23-27,34-35,42-46,48,65-66,69H,7-8,22,28-33H2,1-6H3,(H,60,74)(H,61,70)(H,62,75)(H,63,73)(H,64,76)(H,71,72)(H,78,79)(H,80,81)/t35-,42+,43+,44+,45+,46-,48+/m1/s1
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20n/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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50183557
PNG
(CHEMBL442483 | 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(C)=O)c2ccccc12)C(O)=O
Show InChI InChI=1S/C55H65N9O14/c1-4-5-19-40(51(72)61-45(55(77)78)28-37-31-64(33(3)65)46-20-13-12-18-39(37)46)58-52(73)41(29-48(68)69)59-53(74)43(26-35-16-10-7-11-17-35)63-62-42(25-34-14-8-6-9-15-34)50(71)56-30-47(67)57-32(2)49(70)60-44(54(75)76)27-36-21-23-38(66)24-22-36/h6-18,20-24,31-32,40-45,62-63,66H,4-5,19,25-30H2,1-3H3,(H,56,71)(H,57,67)(H,58,73)(H,59,74)(H,60,70)(H,61,72)(H,68,69)(H,75,76)(H,77,78)/t32-,40+,41+,42+,43+,44+,45+/m1/s1
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23n/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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50183558
PNG
(CHEMBL405192 | 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)OC(C)(C)C)c2ccccc12)C(O)=O
Show InChI InChI=1S/C58H71N9O15/c1-6-7-21-41(52(74)64-46(56(79)80)30-38-33-67(57(81)82-58(3,4)5)47-22-15-14-20-40(38)47)61-53(75)42(31-49(70)71)62-54(76)44(28-36-18-12-9-13-19-36)66-65-43(27-35-16-10-8-11-17-35)51(73)59-32-48(69)60-34(2)50(72)63-45(55(77)78)29-37-23-25-39(68)26-24-37/h8-20,22-26,33-34,41-46,65-66,68H,6-7,21,27-32H2,1-5H3,(H,59,73)(H,60,69)(H,61,75)(H,62,76)(H,63,72)(H,64,74)(H,70,71)(H,77,78)(H,79,80)/t34-,41+,42+,43+,44+,45+,46+/m1/s1
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24n/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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50183551
PNG
(CHEMBL413644 | 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)OC(C)(C)C)c2ccccc12)C(O)=O
Show InChI InChI=1S/C58H71N9O15/c1-6-7-21-41(52(74)64-46(56(79)80)30-38-33-67(57(81)82-58(3,4)5)47-22-15-14-20-40(38)47)61-53(75)42(31-49(70)71)62-54(76)44(28-36-18-12-9-13-19-36)66-65-43(27-35-16-10-8-11-17-35)51(73)59-32-48(69)60-34(2)50(72)63-45(55(77)78)29-37-23-25-39(68)26-24-37/h8-20,22-26,33-34,41-46,65-66,68H,6-7,21,27-32H2,1-5H3,(H,59,73)(H,60,69)(H,61,75)(H,62,76)(H,63,72)(H,64,74)(H,70,71)(H,77,78)(H,79,80)/t34-,41+,42+,43+,44+,45+,46-/m1/s1
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31n/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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50183558
PNG
(CHEMBL405192 | 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)OC(C)(C)C)c2ccccc12)C(O)=O
Show InChI InChI=1S/C58H71N9O15/c1-6-7-21-41(52(74)64-46(56(79)80)30-38-33-67(57(81)82-58(3,4)5)47-22-15-14-20-40(38)47)61-53(75)42(31-49(70)71)62-54(76)44(28-36-18-12-9-13-19-36)66-65-43(27-35-16-10-8-11-17-35)51(73)59-32-48(69)60-34(2)50(72)63-45(55(77)78)29-37-23-25-39(68)26-24-37/h8-20,22-26,33-34,41-46,65-66,68H,6-7,21,27-32H2,1-5H3,(H,59,73)(H,60,69)(H,61,75)(H,62,76)(H,63,72)(H,64,74)(H,70,71)(H,77,78)(H,79,80)/t34-,41+,42+,43+,44+,45+,46+/m1/s1
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59n/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
Nociceptin/mu 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))
BDBM50183554
PNG
(CHEMBL438739 | 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)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(O)=O |wU:61.63,16.24,26.26,4.4,wD:8.12,41.43,46.47,TLB:68:69:71.78.72:76.74.75,78:77:75:71.72.73,THB:68:69:75:71.72.73,78:72:69.77.76:75,73:72:69:76.74.75,73:74:69:71.78.72,(22.46,-1.18,;21.14,-1.97,;21.15,-3.51,;19.82,-4.28,;19.82,-5.82,;18.49,-6.58,;17.15,-5.81,;17.15,-4.28,;15.82,-6.58,;15.82,-8.12,;17.15,-8.89,;18.48,-8.12,;17.15,-10.44,;14.49,-5.81,;13.15,-6.58,;13.15,-8.12,;11.82,-5.81,;11.82,-4.28,;13.15,-3.5,;14.49,-4.27,;15.82,-3.51,;15.82,-1.97,;14.5,-1.19,;13.16,-1.96,;10.49,-6.58,;9.17,-5.81,;7.82,-6.58,;7.82,-8.13,;6.49,-8.9,;5.15,-8.13,;3.82,-8.9,;3.82,-10.45,;5.15,-11.22,;6.49,-10.45,;6.49,-5.82,;6.48,-4.27,;5.15,-6.59,;3.81,-5.82,;2.47,-6.59,;2.47,-8.13,;1.13,-5.82,;-.2,-6.59,;-.2,-8.13,;-1.54,-5.82,;-1.54,-4.27,;-2.88,-6.59,;-4.22,-5.82,;-4.22,-4.27,;-5.55,-3.5,;-6.89,-4.27,;-8.23,-3.5,;-8.23,-1.96,;-9.57,-1.19,;-6.89,-1.19,;-5.55,-1.96,;-5.55,-6.59,;-6.89,-5.82,;-5.55,-8.14,;21.15,-6.59,;21.15,-8.13,;22.48,-5.82,;23.82,-6.59,;23.82,-8.14,;25.15,-8.91,;26.56,-8.28,;27.58,-9.43,;29.12,-9.27,;29.75,-7.87,;30.02,-10.52,;31.55,-10.36,;32.75,-9.08,;34.07,-9.57,;35.47,-9.23,;35.48,-7.7,;34.09,-7.12,;32.74,-7.6,;33.05,-8.35,;33.05,-9.94,;34.46,-10.51,;26.81,-10.76,;27.29,-12.23,;26.26,-13.37,;24.75,-13.04,;24.27,-11.58,;25.31,-10.44,;25.15,-5.83,;26.49,-6.6,;25.15,-4.28,)|
Show InChI InChI=1S/C64H77N9O15/c1-3-4-18-47(59(80)70-52(63(85)86)32-44-35-73(53-19-12-11-17-46(44)53)64(87)88-56-42-25-40-24-41(27-42)28-43(56)26-40)67-60(81)48(33-55(76)77)68-61(82)50(30-38-15-9-6-10-16-38)72-71-49(29-37-13-7-5-8-14-37)58(79)65-34-54(75)66-36(2)57(78)69-51(62(83)84)31-39-20-22-45(74)23-21-39/h5-17,19-23,35-36,40-43,47-52,56,71-72,74H,3-4,18,24-34H2,1-2H3,(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)/t36-,40?,41?,42?,43?,47+,48+,49+,50+,51+,52-,56?/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 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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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))
BDBM50183554
PNG
(CHEMBL438739 | 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)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(O)=O |wU:61.63,16.24,26.26,4.4,wD:8.12,41.43,46.47,TLB:68:69:71.78.72:76.74.75,78:77:75:71.72.73,THB:68:69:75:71.72.73,78:72:69.77.76:75,73:72:69:76.74.75,73:74:69:71.78.72,(22.46,-1.18,;21.14,-1.97,;21.15,-3.51,;19.82,-4.28,;19.82,-5.82,;18.49,-6.58,;17.15,-5.81,;17.15,-4.28,;15.82,-6.58,;15.82,-8.12,;17.15,-8.89,;18.48,-8.12,;17.15,-10.44,;14.49,-5.81,;13.15,-6.58,;13.15,-8.12,;11.82,-5.81,;11.82,-4.28,;13.15,-3.5,;14.49,-4.27,;15.82,-3.51,;15.82,-1.97,;14.5,-1.19,;13.16,-1.96,;10.49,-6.58,;9.17,-5.81,;7.82,-6.58,;7.82,-8.13,;6.49,-8.9,;5.15,-8.13,;3.82,-8.9,;3.82,-10.45,;5.15,-11.22,;6.49,-10.45,;6.49,-5.82,;6.48,-4.27,;5.15,-6.59,;3.81,-5.82,;2.47,-6.59,;2.47,-8.13,;1.13,-5.82,;-.2,-6.59,;-.2,-8.13,;-1.54,-5.82,;-1.54,-4.27,;-2.88,-6.59,;-4.22,-5.82,;-4.22,-4.27,;-5.55,-3.5,;-6.89,-4.27,;-8.23,-3.5,;-8.23,-1.96,;-9.57,-1.19,;-6.89,-1.19,;-5.55,-1.96,;-5.55,-6.59,;-6.89,-5.82,;-5.55,-8.14,;21.15,-6.59,;21.15,-8.13,;22.48,-5.82,;23.82,-6.59,;23.82,-8.14,;25.15,-8.91,;26.56,-8.28,;27.58,-9.43,;29.12,-9.27,;29.75,-7.87,;30.02,-10.52,;31.55,-10.36,;32.75,-9.08,;34.07,-9.57,;35.47,-9.23,;35.48,-7.7,;34.09,-7.12,;32.74,-7.6,;33.05,-8.35,;33.05,-9.94,;34.46,-10.51,;26.81,-10.76,;27.29,-12.23,;26.26,-13.37,;24.75,-13.04,;24.27,-11.58,;25.31,-10.44,;25.15,-5.83,;26.49,-6.6,;25.15,-4.28,)|
Show InChI InChI=1S/C64H77N9O15/c1-3-4-18-47(59(80)70-52(63(85)86)32-44-35-73(53-19-12-11-17-46(44)53)64(87)88-56-42-25-40-24-41(27-42)28-43(56)26-40)67-60(81)48(33-55(76)77)68-61(82)50(30-38-15-9-6-10-16-38)72-71-49(29-37-13-7-5-8-14-37)58(79)65-34-54(75)66-36(2)57(78)69-51(62(83)84)31-39-20-22-45(74)23-21-39/h5-17,19-23,35-36,40-43,47-52,56,71-72,74H,3-4,18,24-34H2,1-2H3,(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)/t36-,40?,41?,42?,43?,47+,48+,49+,50+,51+,52-,56?/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 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
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))
BDBM50183554
PNG
(CHEMBL438739 | 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)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(O)=O |wU:61.63,16.24,26.26,4.4,wD:8.12,41.43,46.47,TLB:68:69:71.78.72:76.74.75,78:77:75:71.72.73,THB:68:69:75:71.72.73,78:72:69.77.76:75,73:72:69:76.74.75,73:74:69:71.78.72,(22.46,-1.18,;21.14,-1.97,;21.15,-3.51,;19.82,-4.28,;19.82,-5.82,;18.49,-6.58,;17.15,-5.81,;17.15,-4.28,;15.82,-6.58,;15.82,-8.12,;17.15,-8.89,;18.48,-8.12,;17.15,-10.44,;14.49,-5.81,;13.15,-6.58,;13.15,-8.12,;11.82,-5.81,;11.82,-4.28,;13.15,-3.5,;14.49,-4.27,;15.82,-3.51,;15.82,-1.97,;14.5,-1.19,;13.16,-1.96,;10.49,-6.58,;9.17,-5.81,;7.82,-6.58,;7.82,-8.13,;6.49,-8.9,;5.15,-8.13,;3.82,-8.9,;3.82,-10.45,;5.15,-11.22,;6.49,-10.45,;6.49,-5.82,;6.48,-4.27,;5.15,-6.59,;3.81,-5.82,;2.47,-6.59,;2.47,-8.13,;1.13,-5.82,;-.2,-6.59,;-.2,-8.13,;-1.54,-5.82,;-1.54,-4.27,;-2.88,-6.59,;-4.22,-5.82,;-4.22,-4.27,;-5.55,-3.5,;-6.89,-4.27,;-8.23,-3.5,;-8.23,-1.96,;-9.57,-1.19,;-6.89,-1.19,;-5.55,-1.96,;-5.55,-6.59,;-6.89,-5.82,;-5.55,-8.14,;21.15,-6.59,;21.15,-8.13,;22.48,-5.82,;23.82,-6.59,;23.82,-8.14,;25.15,-8.91,;26.56,-8.28,;27.58,-9.43,;29.12,-9.27,;29.75,-7.87,;30.02,-10.52,;31.55,-10.36,;32.75,-9.08,;34.07,-9.57,;35.47,-9.23,;35.48,-7.7,;34.09,-7.12,;32.74,-7.6,;33.05,-8.35,;33.05,-9.94,;34.46,-10.51,;26.81,-10.76,;27.29,-12.23,;26.26,-13.37,;24.75,-13.04,;24.27,-11.58,;25.31,-10.44,;25.15,-5.83,;26.49,-6.6,;25.15,-4.28,)|
Show InChI InChI=1S/C64H77N9O15/c1-3-4-18-47(59(80)70-52(63(85)86)32-44-35-73(53-19-12-11-17-46(44)53)64(87)88-56-42-25-40-24-41(27-42)28-43(56)26-40)67-60(81)48(33-55(76)77)68-61(82)50(30-38-15-9-6-10-16-38)72-71-49(29-37-13-7-5-8-14-37)58(79)65-34-54(75)66-36(2)57(78)69-51(62(83)84)31-39-20-22-45(74)23-21-39/h5-17,19-23,35-36,40-43,47-52,56,71-72,74H,3-4,18,24-34H2,1-2H3,(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)/t36-,40?,41?,42?,43?,47+,48+,49+,50+,51+,52-,56?/m1/s1
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930n/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))
BDBM50183554
PNG
(CHEMBL438739 | 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)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(O)=O |wU:61.63,16.24,26.26,4.4,wD:8.12,41.43,46.47,TLB:68:69:71.78.72:76.74.75,78:77:75:71.72.73,THB:68:69:75:71.72.73,78:72:69.77.76:75,73:72:69:76.74.75,73:74:69:71.78.72,(22.46,-1.18,;21.14,-1.97,;21.15,-3.51,;19.82,-4.28,;19.82,-5.82,;18.49,-6.58,;17.15,-5.81,;17.15,-4.28,;15.82,-6.58,;15.82,-8.12,;17.15,-8.89,;18.48,-8.12,;17.15,-10.44,;14.49,-5.81,;13.15,-6.58,;13.15,-8.12,;11.82,-5.81,;11.82,-4.28,;13.15,-3.5,;14.49,-4.27,;15.82,-3.51,;15.82,-1.97,;14.5,-1.19,;13.16,-1.96,;10.49,-6.58,;9.17,-5.81,;7.82,-6.58,;7.82,-8.13,;6.49,-8.9,;5.15,-8.13,;3.82,-8.9,;3.82,-10.45,;5.15,-11.22,;6.49,-10.45,;6.49,-5.82,;6.48,-4.27,;5.15,-6.59,;3.81,-5.82,;2.47,-6.59,;2.47,-8.13,;1.13,-5.82,;-.2,-6.59,;-.2,-8.13,;-1.54,-5.82,;-1.54,-4.27,;-2.88,-6.59,;-4.22,-5.82,;-4.22,-4.27,;-5.55,-3.5,;-6.89,-4.27,;-8.23,-3.5,;-8.23,-1.96,;-9.57,-1.19,;-6.89,-1.19,;-5.55,-1.96,;-5.55,-6.59,;-6.89,-5.82,;-5.55,-8.14,;21.15,-6.59,;21.15,-8.13,;22.48,-5.82,;23.82,-6.59,;23.82,-8.14,;25.15,-8.91,;26.56,-8.28,;27.58,-9.43,;29.12,-9.27,;29.75,-7.87,;30.02,-10.52,;31.55,-10.36,;32.75,-9.08,;34.07,-9.57,;35.47,-9.23,;35.48,-7.7,;34.09,-7.12,;32.74,-7.6,;33.05,-8.35,;33.05,-9.94,;34.46,-10.51,;26.81,-10.76,;27.29,-12.23,;26.26,-13.37,;24.75,-13.04,;24.27,-11.58,;25.31,-10.44,;25.15,-5.83,;26.49,-6.6,;25.15,-4.28,)|
Show InChI InChI=1S/C64H77N9O15/c1-3-4-18-47(59(80)70-52(63(85)86)32-44-35-73(53-19-12-11-17-46(44)53)64(87)88-56-42-25-40-24-41(27-42)28-43(56)26-40)67-60(81)48(33-55(76)77)68-61(82)50(30-38-15-9-6-10-16-38)72-71-49(29-37-13-7-5-8-14-37)58(79)65-34-54(75)66-36(2)57(78)69-51(62(83)84)31-39-20-22-45(74)23-21-39/h5-17,19-23,35-36,40-43,47-52,56,71-72,74H,3-4,18,24-34H2,1-2H3,(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)/t36-,40?,41?,42?,43?,47+,48+,49+,50+,51+,52-,56?/m1/s1
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930n/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))
BDBM50183552
PNG
(CHEMBL412331 | H-Tyr-D-Ala-Gly-Phe-NH-NH-(NMe)Phe-...)
Show SMILES CCCC[C@H](N(C(=O)Nc1ccccc1Cl)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)N(C)N[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(C)=O)c2ccccc12)C(O)=O
Show InChI InChI=1S/C63H71ClN10O15/c1-5-6-24-52(58(82)69-50(62(87)88)33-42-36-73(38(3)75)51-25-16-13-21-44(42)51)74(63(89)70-46-23-15-14-22-45(46)64)60(84)48(34-55(78)79)67-59(83)53(32-40-19-11-8-12-20-40)72(4)71-47(30-39-17-9-7-10-18-39)57(81)65-35-54(77)66-37(2)56(80)68-49(61(85)86)31-41-26-28-43(76)29-27-41/h7-23,25-29,36-37,47-50,52-53,71,76H,5-6,24,30-35H2,1-4H3,(H,65,81)(H,66,77)(H,67,83)(H,68,80)(H,69,82)(H,70,89)(H,78,79)(H,85,86)(H,87,88)/t37-,47+,48+,49+,50+,52+,53+/m1/s1
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1.00E+3n/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))
BDBM50183552
PNG
(CHEMBL412331 | H-Tyr-D-Ala-Gly-Phe-NH-NH-(NMe)Phe-...)
Show SMILES CCCC[C@H](N(C(=O)Nc1ccccc1Cl)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)N(C)N[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(C)=O)c2ccccc12)C(O)=O
Show InChI InChI=1S/C63H71ClN10O15/c1-5-6-24-52(58(82)69-50(62(87)88)33-42-36-73(38(3)75)51-25-16-13-21-44(42)51)74(63(89)70-46-23-15-14-22-45(46)64)60(84)48(34-55(78)79)67-59(83)53(32-40-19-11-8-12-20-40)72(4)71-47(30-39-17-9-7-10-18-39)57(81)65-35-54(77)66-37(2)56(80)68-49(61(85)86)31-41-26-28-43(76)29-27-41/h7-23,25-29,36-37,47-50,52-53,71,76H,5-6,24,30-35H2,1-4H3,(H,65,81)(H,66,77)(H,67,83)(H,68,80)(H,69,82)(H,70,89)(H,78,79)(H,85,86)(H,87,88)/t37-,47+,48+,49+,50+,52+,53+/m1/s1
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1.00E+3n/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))
BDBM50183557
PNG
(CHEMBL442483 | 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(C)=O)c2ccccc12)C(O)=O
Show InChI InChI=1S/C55H65N9O14/c1-4-5-19-40(51(72)61-45(55(77)78)28-37-31-64(33(3)65)46-20-13-12-18-39(37)46)58-52(73)41(29-48(68)69)59-53(74)43(26-35-16-10-7-11-17-35)63-62-42(25-34-14-8-6-9-15-34)50(71)56-30-47(67)57-32(2)49(70)60-44(54(75)76)27-36-21-23-38(66)24-22-36/h6-18,20-24,31-32,40-45,62-63,66H,4-5,19,25-30H2,1-3H3,(H,56,71)(H,57,67)(H,58,73)(H,59,74)(H,60,70)(H,61,72)(H,68,69)(H,75,76)(H,77,78)/t32-,40+,41+,42+,43+,44+,45+/m1/s1
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1.30E+3n/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))
BDBM50183559
PNG
(CHEMBL374325 | Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-NMe...)
Show SMILES CCCC[C@H](N(C)C(=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)OC(C)(C)C)c2ccccc12)C(O)=O
Show InChI InChI=1S/C59H73N9O15/c1-7-8-22-48(54(76)64-46(57(80)81)31-39-34-68(58(82)83-59(3,4)5)47-23-16-15-21-41(39)47)67(6)55(77)44(32-50(71)72)62-53(75)43(29-37-19-13-10-14-20-37)66-65-42(28-36-17-11-9-12-18-36)52(74)60-33-49(70)61-35(2)51(73)63-45(56(78)79)30-38-24-26-40(69)27-25-38/h9-21,23-27,34-35,42-46,48,65-66,69H,7-8,22,28-33H2,1-6H3,(H,60,74)(H,61,70)(H,62,75)(H,63,73)(H,64,76)(H,71,72)(H,78,79)(H,80,81)/t35-,42+,43+,44+,45+,46-,48+/m1/s1
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1.50E+3n/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))
BDBM50183552
PNG
(CHEMBL412331 | H-Tyr-D-Ala-Gly-Phe-NH-NH-(NMe)Phe-...)
Show SMILES CCCC[C@H](N(C(=O)Nc1ccccc1Cl)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)N(C)N[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(C)=O)c2ccccc12)C(O)=O
Show InChI InChI=1S/C63H71ClN10O15/c1-5-6-24-52(58(82)69-50(62(87)88)33-42-36-73(38(3)75)51-25-16-13-21-44(42)51)74(63(89)70-46-23-15-14-22-45(46)64)60(84)48(34-55(78)79)67-59(83)53(32-40-19-11-8-12-20-40)72(4)71-47(30-39-17-9-7-10-18-39)57(81)65-35-54(77)66-37(2)56(80)68-49(61(85)86)31-41-26-28-43(76)29-27-41/h7-23,25-29,36-37,47-50,52-53,71,76H,5-6,24,30-35H2,1-4H3,(H,65,81)(H,66,77)(H,67,83)(H,68,80)(H,69,82)(H,70,89)(H,78,79)(H,85,86)(H,87,88)/t37-,47+,48+,49+,50+,52+,53+/m1/s1
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1.70E+3n/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))
BDBM50183559
PNG
(CHEMBL374325 | Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-NMe...)
Show SMILES CCCC[C@H](N(C)C(=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)OC(C)(C)C)c2ccccc12)C(O)=O
Show InChI InChI=1S/C59H73N9O15/c1-7-8-22-48(54(76)64-46(57(80)81)31-39-34-68(58(82)83-59(3,4)5)47-23-16-15-21-41(39)47)67(6)55(77)44(32-50(71)72)62-53(75)43(29-37-19-13-10-14-20-37)66-65-42(28-36-17-11-9-12-18-36)52(74)60-33-49(70)61-35(2)51(73)63-45(56(78)79)30-38-24-26-40(69)27-25-38/h9-21,23-27,34-35,42-46,48,65-66,69H,7-8,22,28-33H2,1-6H3,(H,60,74)(H,61,70)(H,62,75)(H,63,73)(H,64,76)(H,71,72)(H,78,79)(H,80,81)/t35-,42+,43+,44+,45+,46-,48+/m1/s1
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1.90E+3n/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))
BDBM50183559
PNG
(CHEMBL374325 | Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-NMe...)
Show SMILES CCCC[C@H](N(C)C(=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)OC(C)(C)C)c2ccccc12)C(O)=O
Show InChI InChI=1S/C59H73N9O15/c1-7-8-22-48(54(76)64-46(57(80)81)31-39-34-68(58(82)83-59(3,4)5)47-23-16-15-21-41(39)47)67(6)55(77)44(32-50(71)72)62-53(75)43(29-37-19-13-10-14-20-37)66-65-42(28-36-17-11-9-12-18-36)52(74)60-33-49(70)61-35(2)51(73)63-45(56(78)79)30-38-24-26-40(69)27-25-38/h9-21,23-27,34-35,42-46,48,65-66,69H,7-8,22,28-33H2,1-6H3,(H,60,74)(H,61,70)(H,62,75)(H,63,73)(H,64,76)(H,71,72)(H,78,79)(H,80,81)/t35-,42+,43+,44+,45+,46-,48+/m1/s1
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1.90E+3n/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))
BDBM50183558
PNG
(CHEMBL405192 | 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)OC(C)(C)C)c2ccccc12)C(O)=O
Show InChI InChI=1S/C58H71N9O15/c1-6-7-21-41(52(74)64-46(56(79)80)30-38-33-67(57(81)82-58(3,4)5)47-22-15-14-20-40(38)47)61-53(75)42(31-49(70)71)62-54(76)44(28-36-18-12-9-13-19-36)66-65-43(27-35-16-10-8-11-17-35)51(73)59-32-48(69)60-34(2)50(72)63-45(55(77)78)29-37-23-25-39(68)26-24-37/h8-20,22-26,33-34,41-46,65-66,68H,6-7,21,27-32H2,1-5H3,(H,59,73)(H,60,69)(H,61,75)(H,62,76)(H,63,72)(H,64,74)(H,70,71)(H,77,78)(H,79,80)/t34-,41+,42+,43+,44+,45+,46+/m1/s1
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3.80E+3n/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))
BDBM50183558
PNG
(CHEMBL405192 | 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)OC(C)(C)C)c2ccccc12)C(O)=O
Show InChI InChI=1S/C58H71N9O15/c1-6-7-21-41(52(74)64-46(56(79)80)30-38-33-67(57(81)82-58(3,4)5)47-22-15-14-20-40(38)47)61-53(75)42(31-49(70)71)62-54(76)44(28-36-18-12-9-13-19-36)66-65-43(27-35-16-10-8-11-17-35)51(73)59-32-48(69)60-34(2)50(72)63-45(55(77)78)29-37-23-25-39(68)26-24-37/h8-20,22-26,33-34,41-46,65-66,68H,6-7,21,27-32H2,1-5H3,(H,59,73)(H,60,69)(H,61,75)(H,62,76)(H,63,72)(H,64,74)(H,70,71)(H,77,78)(H,79,80)/t34-,41+,42+,43+,44+,45+,46+/m1/s1
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3.80E+3n/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))
BDBM50183558
PNG
(CHEMBL405192 | 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)OC(C)(C)C)c2ccccc12)C(O)=O
Show InChI InChI=1S/C58H71N9O15/c1-6-7-21-41(52(74)64-46(56(79)80)30-38-33-67(57(81)82-58(3,4)5)47-22-15-14-20-40(38)47)61-53(75)42(31-49(70)71)62-54(76)44(28-36-18-12-9-13-19-36)66-65-43(27-35-16-10-8-11-17-35)51(73)59-32-48(69)60-34(2)50(72)63-45(55(77)78)29-37-23-25-39(68)26-24-37/h8-20,22-26,33-34,41-46,65-66,68H,6-7,21,27-32H2,1-5H3,(H,59,73)(H,60,69)(H,61,75)(H,62,76)(H,63,72)(H,64,74)(H,70,71)(H,77,78)(H,79,80)/t34-,41+,42+,43+,44+,45+,46+/m1/s1
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4.10E+3n/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))
BDBM50183553
PNG
(CHEMBL375412 | 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](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C53H63N9O13/c1-3-4-18-39(49(69)60-44(53(74)75)27-35-29-54-38-19-12-11-17-37(35)38)57-50(70)40(28-46(65)66)58-51(71)42(25-33-15-9-6-10-16-33)62-61-41(24-32-13-7-5-8-14-32)48(68)55-30-45(64)56-31(2)47(67)59-43(52(72)73)26-34-20-22-36(63)23-21-34/h5-17,19-23,29,31,39-44,54,61-63H,3-4,18,24-28,30H2,1-2H3,(H,55,68)(H,56,64)(H,57,70)(H,58,71)(H,59,67)(H,60,69)(H,65,66)(H,72,73)(H,74,75)/t31-,39+,40+,41+,42+,43+,44-/m1/s1
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9.30E+3n/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))
BDBM50183553
PNG
(CHEMBL375412 | 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](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C53H63N9O13/c1-3-4-18-39(49(69)60-44(53(74)75)27-35-29-54-38-19-12-11-17-37(35)38)57-50(70)40(28-46(65)66)58-51(71)42(25-33-15-9-6-10-16-33)62-61-41(24-32-13-7-5-8-14-32)48(68)55-30-45(64)56-31(2)47(67)59-43(52(72)73)26-34-20-22-36(63)23-21-34/h5-17,19-23,29,31,39-44,54,61-63H,3-4,18,24-28,30H2,1-2H3,(H,55,68)(H,56,64)(H,57,70)(H,58,71)(H,59,67)(H,60,69)(H,65,66)(H,72,73)(H,74,75)/t31-,39+,40+,41+,42+,43+,44-/m1/s1
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9.30E+3n/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))
BDBM50183551
PNG
(CHEMBL413644 | 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)OC(C)(C)C)c2ccccc12)C(O)=O
Show InChI InChI=1S/C58H71N9O15/c1-6-7-21-41(52(74)64-46(56(79)80)30-38-33-67(57(81)82-58(3,4)5)47-22-15-14-20-40(38)47)61-53(75)42(31-49(70)71)62-54(76)44(28-36-18-12-9-13-19-36)66-65-43(27-35-16-10-8-11-17-35)51(73)59-32-48(69)60-34(2)50(72)63-45(55(77)78)29-37-23-25-39(68)26-24-37/h8-20,22-26,33-34,41-46,65-66,68H,6-7,21,27-32H2,1-5H3,(H,59,73)(H,60,69)(H,61,75)(H,62,76)(H,63,72)(H,64,74)(H,70,71)(H,77,78)(H,79,80)/t34-,41+,42+,43+,44+,45+,46-/m1/s1
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>1.00E+4n/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))
BDBM50183551
PNG
(CHEMBL413644 | 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)OC(C)(C)C)c2ccccc12)C(O)=O
Show InChI InChI=1S/C58H71N9O15/c1-6-7-21-41(52(74)64-46(56(79)80)30-38-33-67(57(81)82-58(3,4)5)47-22-15-14-20-40(38)47)61-53(75)42(31-49(70)71)62-54(76)44(28-36-18-12-9-13-19-36)66-65-43(27-35-16-10-8-11-17-35)51(73)59-32-48(69)60-34(2)50(72)63-45(55(77)78)29-37-23-25-39(68)26-24-37/h8-20,22-26,33-34,41-46,65-66,68H,6-7,21,27-32H2,1-5H3,(H,59,73)(H,60,69)(H,61,75)(H,62,76)(H,63,72)(H,64,74)(H,70,71)(H,77,78)(H,79,80)/t34-,41+,42+,43+,44+,45+,46-/m1/s1
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>1.00E+4n/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))
BDBM50183553
PNG
(CHEMBL375412 | 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](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C53H63N9O13/c1-3-4-18-39(49(69)60-44(53(74)75)27-35-29-54-38-19-12-11-17-37(35)38)57-50(70)40(28-46(65)66)58-51(71)42(25-33-15-9-6-10-16-33)62-61-41(24-32-13-7-5-8-14-32)48(68)55-30-45(64)56-31(2)47(67)59-43(52(72)73)26-34-20-22-36(63)23-21-34/h5-17,19-23,29,31,39-44,54,61-63H,3-4,18,24-28,30H2,1-2H3,(H,55,68)(H,56,64)(H,57,70)(H,58,71)(H,59,67)(H,60,69)(H,65,66)(H,72,73)(H,74,75)/t31-,39+,40+,41+,42+,43+,44-/m1/s1
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1.00E+4n/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))
BDBM50183551
PNG
(CHEMBL413644 | 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)OC(C)(C)C)c2ccccc12)C(O)=O
Show InChI InChI=1S/C58H71N9O15/c1-6-7-21-41(52(74)64-46(56(79)80)30-38-33-67(57(81)82-58(3,4)5)47-22-15-14-20-40(38)47)61-53(75)42(31-49(70)71)62-54(76)44(28-36-18-12-9-13-19-36)66-65-43(27-35-16-10-8-11-17-35)51(73)59-32-48(69)60-34(2)50(72)63-45(55(77)78)29-37-23-25-39(68)26-24-37/h8-20,22-26,33-34,41-46,65-66,68H,6-7,21,27-32H2,1-5H3,(H,59,73)(H,60,69)(H,61,75)(H,62,76)(H,63,72)(H,64,74)(H,70,71)(H,77,78)(H,79,80)/t34-,41+,42+,43+,44+,45+,46-/m1/s1
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>1.00E+4n/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))
BDBM50183551
PNG
(CHEMBL413644 | 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)OC(C)(C)C)c2ccccc12)C(O)=O
Show InChI InChI=1S/C58H71N9O15/c1-6-7-21-41(52(74)64-46(56(79)80)30-38-33-67(57(81)82-58(3,4)5)47-22-15-14-20-40(38)47)61-53(75)42(31-49(70)71)62-54(76)44(28-36-18-12-9-13-19-36)66-65-43(27-35-16-10-8-11-17-35)51(73)59-32-48(69)60-34(2)50(72)63-45(55(77)78)29-37-23-25-39(68)26-24-37/h8-20,22-26,33-34,41-46,65-66,68H,6-7,21,27-32H2,1-5H3,(H,59,73)(H,60,69)(H,61,75)(H,62,76)(H,63,72)(H,64,74)(H,70,71)(H,77,78)(H,79,80)/t34-,41+,42+,43+,44+,45+,46-/m1/s1
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>1.00E+4n/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
Mu-type opioid receptor


(GUINEA PIG)
BDBM50183559
PNG
(CHEMBL374325 | Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-NMe...)
Show SMILES CCCC[C@H](N(C)C(=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)OC(C)(C)C)c2ccccc12)C(O)=O
Show InChI InChI=1S/C59H73N9O15/c1-7-8-22-48(54(76)64-46(57(80)81)31-39-34-68(58(82)83-59(3,4)5)47-23-16-15-21-41(39)47)67(6)55(77)44(32-50(71)72)62-53(75)43(29-37-19-13-10-14-20-37)66-65-42(28-36-17-11-9-12-18-36)52(74)60-33-49(70)61-35(2)51(73)63-45(56(78)79)30-38-24-26-40(69)27-25-38/h9-21,23-27,34-35,42-46,48,65-66,69H,7-8,22,28-33H2,1-6H3,(H,60,74)(H,61,70)(H,62,75)(H,63,73)(H,64,76)(H,71,72)(H,78,79)(H,80,81)/t35-,42+,43+,44+,45+,46-,48+/m1/s1
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n/an/a 0n/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 at 1 uM


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)
BDBM21014
PNG
((2S)-2-amino-N-[(1R)-1-[({[(1S)-1-{N'-[(2S)-2-{2-[...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28-,35+,36+,37+,38+/m1/s1
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n/an/a 2.70n/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
Delta-type opioid receptor


(MOUSE)
BDBM50183556
PNG
(CHEMBL408889 | H-Tyr-D-Ala-Gly-Phe-NH-NH-(NMe)Phe-...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)N(C)N[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(C)=O)c2ccccc12)C(O)=O
Show InChI InChI=1S/C56H67N9O14/c1-5-6-20-41(52(73)62-45(56(78)79)29-38-32-65(34(3)66)46-21-14-13-19-40(38)46)59-53(74)42(30-49(69)70)60-54(75)47(28-36-17-11-8-12-18-36)64(4)63-43(26-35-15-9-7-10-16-35)51(72)57-31-48(68)58-33(2)50(71)61-44(55(76)77)27-37-22-24-39(67)25-23-37/h7-19,21-25,32-33,41-45,47,63,67H,5-6,20,26-31H2,1-4H3,(H,57,72)(H,58,68)(H,59,74)(H,60,75)(H,61,71)(H,62,73)(H,69,70)(H,76,77)(H,78,79)/t33-,41+,42+,43+,44+,45+,47+/m1/s1
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n/an/a 5.10n/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)
BDBM21014
PNG
((2S)-2-amino-N-[(1R)-1-[({[(1S)-1-{N'-[(2S)-2-{2-[...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28-,35+,36+,37+,38+/m1/s1
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n/an/a 8.80n/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))
BDBM50183556
PNG
(CHEMBL408889 | H-Tyr-D-Ala-Gly-Phe-NH-NH-(NMe)Phe-...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)N(C)N[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(C)=O)c2ccccc12)C(O)=O
Show InChI InChI=1S/C56H67N9O14/c1-5-6-20-41(52(73)62-45(56(78)79)29-38-32-65(34(3)66)46-21-14-13-19-40(38)46)59-53(74)42(30-49(69)70)60-54(75)47(28-36-17-11-8-12-18-36)64(4)63-43(26-35-15-9-7-10-16-35)51(72)57-31-48(68)58-33(2)50(71)61-44(55(76)77)27-37-22-24-39(67)25-23-37/h7-19,21-25,32-33,41-45,47,63,67H,5-6,20,26-31H2,1-4H3,(H,57,72)(H,58,68)(H,59,74)(H,60,75)(H,61,71)(H,62,73)(H,69,70)(H,76,77)(H,78,79)/t33-,41+,42+,43+,44+,45+,47+/m1/s1
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n/an/a 11n/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
Delta-type opioid receptor


(MOUSE)
BDBM50183551
PNG
(CHEMBL413644 | 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)OC(C)(C)C)c2ccccc12)C(O)=O
Show InChI InChI=1S/C58H71N9O15/c1-6-7-21-41(52(74)64-46(56(79)80)30-38-33-67(57(81)82-58(3,4)5)47-22-15-14-20-40(38)47)61-53(75)42(31-49(70)71)62-54(76)44(28-36-18-12-9-13-19-36)66-65-43(27-35-16-10-8-11-17-35)51(73)59-32-48(69)60-34(2)50(72)63-45(55(77)78)29-37-23-25-39(68)26-24-37/h8-20,22-26,33-34,41-46,65-66,68H,6-7,21,27-32H2,1-5H3,(H,59,73)(H,60,69)(H,61,75)(H,62,76)(H,63,72)(H,64,74)(H,70,71)(H,77,78)(H,79,80)/t34-,41+,42+,43+,44+,45+,46-/m1/s1
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n/an/a 24n/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
Delta-type opioid receptor


(MOUSE)
BDBM50183552
PNG
(CHEMBL412331 | H-Tyr-D-Ala-Gly-Phe-NH-NH-(NMe)Phe-...)
Show SMILES CCCC[C@H](N(C(=O)Nc1ccccc1Cl)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)N(C)N[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(C)=O)c2ccccc12)C(O)=O
Show InChI InChI=1S/C63H71ClN10O15/c1-5-6-24-52(58(82)69-50(62(87)88)33-42-36-73(38(3)75)51-25-16-13-21-44(42)51)74(63(89)70-46-23-15-14-22-45(46)64)60(84)48(34-55(78)79)67-59(83)53(32-40-19-11-8-12-20-40)72(4)71-47(30-39-17-9-7-10-18-39)57(81)65-35-54(77)66-37(2)56(80)68-49(61(85)86)31-41-26-28-43(76)29-27-41/h7-23,25-29,36-37,47-50,52-53,71,76H,5-6,24,30-35H2,1-4H3,(H,65,81)(H,66,77)(H,67,83)(H,68,80)(H,69,82)(H,70,89)(H,78,79)(H,85,86)(H,87,88)/t37-,47+,48+,49+,50+,52+,53+/m1/s1
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n/an/a 26n/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
Delta-type opioid receptor


(MOUSE)
BDBM50183553
PNG
(CHEMBL375412 | 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](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C53H63N9O13/c1-3-4-18-39(49(69)60-44(53(74)75)27-35-29-54-38-19-12-11-17-37(35)38)57-50(70)40(28-46(65)66)58-51(71)42(25-33-15-9-6-10-16-33)62-61-41(24-32-13-7-5-8-14-32)48(68)55-30-45(64)56-31(2)47(67)59-43(52(72)73)26-34-20-22-36(63)23-21-34/h5-17,19-23,29,31,39-44,54,61-63H,3-4,18,24-28,30H2,1-2H3,(H,55,68)(H,56,64)(H,57,70)(H,58,71)(H,59,67)(H,60,69)(H,65,66)(H,72,73)(H,74,75)/t31-,39+,40+,41+,42+,43+,44-/m1/s1
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n/an/a 26n/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
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