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PubMed code 19807094

Compile data set for download or QSAR
Found 45 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50010704
PNG
(CHEMBL216640 | Dyn A(1-11)-NH2 | Dynorphin A analo...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H104N22O12/c1-5-37(4)51(59(96)82-45(20-13-29-75-63(71)72)60(97)85-30-14-21-48(85)58(95)79-42(52(66)89)17-9-10-26-64)84-55(92)44(19-12-28-74-62(69)70)80-54(91)43(18-11-27-73-61(67)68)81-56(93)46(31-36(2)3)83-57(94)47(33-38-15-7-6-8-16-38)78-50(88)35-76-49(87)34-77-53(90)41(65)32-39-22-24-40(86)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,86H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H2,66,89)(H,76,87)(H,77,90)(H,78,88)(H,79,95)(H,80,91)(H,81,93)(H,82,96)(H,83,94)(H,84,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,51-/m0/s1
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 0.570n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa opioid receptor expressed in CHO cells

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50040123
PNG
(CHEMBL438223 | HTry-Gly-Gly-Phe-Leu-Arg-Arg-lle-Ar...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C63H103N21O13/c1-5-37(4)51(58(94)80-44(20-13-29-74-63(70)71)59(95)84-30-14-21-48(84)57(93)81-45(60(96)97)17-9-10-26-64)83-54(90)43(19-12-28-73-62(68)69)78-53(89)42(18-11-27-72-61(66)67)79-55(91)46(31-36(2)3)82-56(92)47(33-38-15-7-6-8-16-38)77-50(87)35-75-49(86)34-76-52(88)41(65)32-39-22-24-40(85)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,85H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H,75,86)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,94)(H,81,93)(H,82,92)(H,83,90)(H,96,97)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,51-/m0/s1
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 1.11n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa opioid receptor expressed in CHO cells

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50010704
PNG
(CHEMBL216640 | Dyn A(1-11)-NH2 | Dynorphin A analo...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H104N22O12/c1-5-37(4)51(59(96)82-45(20-13-29-75-63(71)72)60(97)85-30-14-21-48(85)58(95)79-42(52(66)89)17-9-10-26-64)84-55(92)44(19-12-28-74-62(69)70)80-54(91)43(18-11-27-73-61(67)68)81-56(93)46(31-36(2)3)83-57(94)47(33-38-15-7-6-8-16-38)78-50(88)35-76-49(87)34-77-53(90)41(65)32-39-22-24-40(86)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,86H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H2,66,89)(H,76,87)(H,77,90)(H,78,88)(H,79,95)(H,80,91)(H,81,93)(H,82,96)(H,83,94)(H,84,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,51-/m0/s1
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 1.85n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50299400
PNG
(CHEMBL584800 | PhCH2Tyr-Gly-Gly-Phe-Leu-Arg-Nalpha...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C71H112N22O12/c1-6-44(4)59(66(103)89-51(25-16-34-81-70(76)77)68(105)93-36-18-27-56(93)65(102)87-49(60(73)97)23-13-14-32-72)91-64(101)55(26-17-35-82-71(78)79)92(5)67(104)50(24-15-33-80-69(74)75)88-62(99)53(37-43(2)3)90-63(100)54(39-45-19-9-7-10-20-45)86-58(96)42-84-57(95)41-85-61(98)52(38-46-28-30-48(94)31-29-46)83-40-47-21-11-8-12-22-47/h7-12,19-22,28-31,43-44,49-56,59,83,94H,6,13-18,23-27,32-42,72H2,1-5H3,(H2,73,97)(H,84,95)(H,85,98)(H,86,96)(H,87,102)(H,88,99)(H,89,103)(H,90,100)(H,91,101)(H4,74,75,80)(H4,76,77,81)(H4,78,79,82)/t44-,49-,50-,51-,52-,53-,54-,55-,56+,59-/m0/s1
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 2.17n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa opioid receptor expressed in CHO cells

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50299410
PNG
(CHEMBL584801 | PhCH2Tyr-Gly-Gly-Phe-Leu-Arg-Arg-D-...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C67H104N22O12/c1-40(2)34-51(88-62(99)52(36-42-16-6-4-7-17-42)83-55(92)39-80-54(91)38-81-58(95)50(35-43-25-27-45(90)28-26-43)79-37-44-18-8-5-9-19-44)61(98)86-48(22-13-31-77-66(72)73)60(97)85-47(21-12-30-76-65(70)71)59(96)82-41(3)57(94)87-49(23-14-32-78-67(74)75)64(101)89-33-15-24-53(89)63(100)84-46(56(69)93)20-10-11-29-68/h4-9,16-19,25-28,40-41,46-53,79,90H,10-15,20-24,29-39,68H2,1-3H3,(H2,69,93)(H,80,91)(H,81,95)(H,82,96)(H,83,92)(H,84,100)(H,85,97)(H,86,98)(H,87,94)(H,88,99)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t41-,46+,47+,48+,49+,50+,51+,52+,53-/m1/s1
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 3.10n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa opioid receptor expressed in CHO cells

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50299401
PNG
(CHEMBL574567 | PhCH2Tyr-Gly-Gly-Phe-Leu-Arg-Nalpha...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7](-[#6])-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C68H106N22O12/c1-41(2)35-51(88-61(98)52(37-43-17-7-5-8-18-43)84-56(93)40-81-55(92)39-82-59(96)50(36-44-26-28-46(91)29-27-44)80-38-45-19-9-6-10-20-45)60(97)87-48(22-13-31-77-66(71)72)64(101)89(4)53(24-15-33-79-68(75)76)62(99)83-42(3)58(95)86-49(23-14-32-78-67(73)74)65(102)90-34-16-25-54(90)63(100)85-47(57(70)94)21-11-12-30-69/h5-10,17-20,26-29,41-42,47-54,80,91H,11-16,21-25,30-40,69H2,1-4H3,(H2,70,94)(H,81,92)(H,82,96)(H,83,99)(H,84,93)(H,85,100)(H,86,95)(H,87,97)(H,88,98)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t42-,47+,48+,49+,50+,51+,52+,53+,54+/m1/s1
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 3.11n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa opioid receptor expressed in CHO cells

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50040123
PNG
(CHEMBL438223 | HTry-Gly-Gly-Phe-Leu-Arg-Arg-lle-Ar...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C63H103N21O13/c1-5-37(4)51(58(94)80-44(20-13-29-74-63(70)71)59(95)84-30-14-21-48(84)57(93)81-45(60(96)97)17-9-10-26-64)83-54(90)43(19-12-28-73-62(68)69)78-53(89)42(18-11-27-72-61(66)67)79-55(91)46(31-36(2)3)82-56(92)47(33-38-15-7-6-8-16-38)77-50(87)35-75-49(86)34-76-52(88)41(65)32-39-22-24-40(85)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,85H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H,75,86)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,94)(H,81,93)(H,82,92)(H,83,90)(H,96,97)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,51-/m0/s1
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 3.5n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50299404
PNG
(CHEMBL584595 | PhCH2Tyr-Gly-Gly-Phe-Leu-Arg-Nalpha...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C71H112N22O12/c1-6-44(4)59(66(103)89-51(25-16-34-81-70(76)77)68(105)93-36-18-27-56(93)65(102)87-49(60(73)97)23-13-14-32-72)91-64(101)55(26-17-35-82-71(78)79)92(5)67(104)50(24-15-33-80-69(74)75)88-62(99)53(37-43(2)3)90-63(100)54(39-45-19-9-7-10-20-45)86-58(96)42-84-57(95)41-85-61(98)52(38-46-28-30-48(94)31-29-46)83-40-47-21-11-8-12-22-47/h7-12,19-22,28-31,43-44,49-56,59,83,94H,6,13-18,23-27,32-42,72H2,1-5H3,(H2,73,97)(H,84,95)(H,85,98)(H,86,96)(H,87,102)(H,88,99)(H,89,103)(H,90,100)(H,91,101)(H4,74,75,80)(H4,76,77,81)(H4,78,79,82)/t44-,49-,50-,51-,52-,53-,54-,55-,56-,59-/m0/s1
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 3.99n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa opioid receptor expressed in CHO cells

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50299402
PNG
(CHEMBL584799 | PhCH2Tyr-Gly-Gly-Phe-Leu-Arg-Arg-ll...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C70H110N22O12/c1-5-43(4)58(66(103)89-51(25-16-34-81-70(77)78)67(104)92-35-17-26-55(92)65(102)86-48(59(72)96)22-12-13-31-71)91-62(99)50(24-15-33-80-69(75)76)87-61(98)49(23-14-32-79-68(73)74)88-63(100)53(36-42(2)3)90-64(101)54(38-44-18-8-6-9-19-44)85-57(95)41-83-56(94)40-84-60(97)52(37-45-27-29-47(93)30-28-45)82-39-46-20-10-7-11-21-46/h6-11,18-21,27-30,42-43,48-55,58,82,93H,5,12-17,22-26,31-41,71H2,1-4H3,(H2,72,96)(H,83,94)(H,84,97)(H,85,95)(H,86,102)(H,87,98)(H,88,100)(H,89,103)(H,90,101)(H,91,99)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t43-,48-,49-,50-,51-,52-,53-,54-,55+,58-/m0/s1
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 4.56n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa opioid receptor expressed in CHO cells

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50299403
PNG
(CHEMBL584596 | PhCH2Tyr-Gly-Gly-Phe-Leu-Arg-Arg-D-...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C67H104N22O12/c1-40(2)34-51(88-62(99)52(36-42-16-6-4-7-17-42)83-55(92)39-80-54(91)38-81-58(95)50(35-43-25-27-45(90)28-26-43)79-37-44-18-8-5-9-19-44)61(98)86-48(22-13-31-77-66(72)73)60(97)85-47(21-12-30-76-65(70)71)59(96)82-41(3)57(94)87-49(23-14-32-78-67(74)75)64(101)89-33-15-24-53(89)63(100)84-46(56(69)93)20-10-11-29-68/h4-9,16-19,25-28,40-41,46-53,79,90H,10-15,20-24,29-39,68H2,1-3H3,(H2,69,93)(H,80,91)(H,81,95)(H,82,96)(H,83,92)(H,84,100)(H,85,97)(H,86,98)(H,87,94)(H,88,99)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t41-,46+,47+,48+,49+,50+,51+,52+,53+/m1/s1
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 4.64n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa opioid receptor expressed in CHO cells

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50010704
PNG
(CHEMBL216640 | Dyn A(1-11)-NH2 | Dynorphin A analo...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C63H104N22O12/c1-5-37(4)51(59(96)82-45(20-13-29-75-63(71)72)60(97)85-30-14-21-48(85)58(95)79-42(52(66)89)17-9-10-26-64)84-55(92)44(19-12-28-74-62(69)70)80-54(91)43(18-11-27-73-61(67)68)81-56(93)46(31-36(2)3)83-57(94)47(33-38-15-7-6-8-16-38)78-50(88)35-76-49(87)34-77-53(90)41(65)32-39-22-24-40(86)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,86H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H2,66,89)(H,76,87)(H,77,90)(H,78,88)(H,79,95)(H,80,91)(H,81,93)(H,82,96)(H,83,94)(H,84,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,51-/m0/s1
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 6.18n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse delta opioid receptor expressed in CHO cells

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50299405
PNG
(CHEMBL584594 | PhCH2Tyr-Gly-Gly-Phe-Leu-Arg-Arg-ll...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C70H110N22O12/c1-5-43(4)58(66(103)89-51(25-16-34-81-70(77)78)67(104)92-35-17-26-55(92)65(102)86-48(59(72)96)22-12-13-31-71)91-62(99)50(24-15-33-80-69(75)76)87-61(98)49(23-14-32-79-68(73)74)88-63(100)53(36-42(2)3)90-64(101)54(38-44-18-8-6-9-19-44)85-57(95)41-83-56(94)40-84-60(97)52(37-45-27-29-47(93)30-28-45)82-39-46-20-10-7-11-21-46/h6-11,18-21,27-30,42-43,48-55,58,82,93H,5,12-17,22-26,31-41,71H2,1-4H3,(H2,72,96)(H,83,94)(H,84,97)(H,85,95)(H,86,102)(H,87,98)(H,88,100)(H,89,103)(H,90,101)(H,91,99)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,58-/m0/s1
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 8.17n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa opioid receptor expressed in CHO cells

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50040123
PNG
(CHEMBL438223 | HTry-Gly-Gly-Phe-Leu-Arg-Arg-lle-Ar...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C63H103N21O13/c1-5-37(4)51(58(94)80-44(20-13-29-74-63(70)71)59(95)84-30-14-21-48(84)57(93)81-45(60(96)97)17-9-10-26-64)83-54(90)43(19-12-28-73-62(68)69)78-53(89)42(18-11-27-72-61(66)67)79-55(91)46(31-36(2)3)82-56(92)47(33-38-15-7-6-8-16-38)77-50(87)35-75-49(86)34-76-52(88)41(65)32-39-22-24-40(85)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,85H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H,75,86)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,94)(H,81,93)(H,82,92)(H,83,90)(H,96,97)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,51-/m0/s1
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 8.18n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse delta opioid receptor expressed in CHO cells

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50059583
PNG
(CHEMBL268818 | N-benzyl[D-Pro-10]Dyn A-(1-11) | Ph...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C70H109N21O13/c1-5-43(4)58(65(101)87-50(25-16-34-80-70(76)77)66(102)91-35-17-26-55(91)64(100)88-51(67(103)104)22-12-13-31-71)90-61(97)49(24-15-33-79-69(74)75)85-60(96)48(23-14-32-78-68(72)73)86-62(98)53(36-42(2)3)89-63(99)54(38-44-18-8-6-9-19-44)84-57(94)41-82-56(93)40-83-59(95)52(37-45-27-29-47(92)30-28-45)81-39-46-20-10-7-11-21-46/h6-11,18-21,27-30,42-43,48-55,58,81,92H,5,12-17,22-26,31-41,71H2,1-4H3,(H,82,93)(H,83,95)(H,84,94)(H,85,96)(H,86,98)(H,87,101)(H,88,100)(H,89,99)(H,90,97)(H,103,104)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,58-/m0/s1
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 14.8n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa opioid receptor expressed in CHO cells

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50002345
PNG
(CHEMBL407529 | PhCH2Tyr-Gly-Gly-Phe-Leu-Arg-Arg-ll...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C70H109N21O13/c1-5-43(4)58(65(101)87-50(25-16-34-80-70(76)77)66(102)91-35-17-26-55(91)64(100)88-51(67(103)104)22-12-13-31-71)90-61(97)49(24-15-33-79-69(74)75)85-60(96)48(23-14-32-78-68(72)73)86-62(98)53(36-42(2)3)89-63(99)54(38-44-18-8-6-9-19-44)84-57(94)41-82-56(93)40-83-59(95)52(37-45-27-29-47(92)30-28-45)81-39-46-20-10-7-11-21-46/h6-11,18-21,27-30,42-43,48-55,58,81,92H,5,12-17,22-26,31-41,71H2,1-4H3,(H,82,93)(H,83,95)(H,84,94)(H,85,96)(H,86,98)(H,87,101)(H,88,100)(H,89,99)(H,90,97)(H,103,104)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t43-,48-,49-,50-,51-,52-,53-,54-,55+,58-/m0/s1
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 15.5n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa opioid receptor expressed in CHO cells

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50299408
PNG
(CHEMBL574568 | zyklophin)
Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](=O)-[#7]-[#6]-[#6@H](-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C65H96N20O13/c1-3-38(2)54-62(97)83-49(60(95)81-45(21-13-29-73-65(70)71)63(98)85-30-14-22-50(85)61(96)79-43(55(67)90)19-10-11-27-66)35-75-51(87)33-48(59(94)80-44(57(92)84-54)20-12-28-72-64(68)69)82-58(93)47(32-39-15-6-4-7-16-39)78-53(89)37-76-52(88)36-77-56(91)46(31-40-23-25-42(86)26-24-40)74-34-41-17-8-5-9-18-41/h4-9,15-18,23-26,38,43-50,54,74,86H,3,10-14,19-22,27-37,66H2,1-2H3,(H2,67,90)(H,75,87)(H,76,88)(H,77,91)(H,78,89)(H,79,96)(H,80,94)(H,81,95)(H,82,93)(H,83,97)(H,84,92)(H4,68,69,72)(H4,70,71,73)/t38?,43-,44-,45-,46-,47-,48-,49-,50-,54-/m0/s1
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 30.3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa opioid receptor expressed in CHO cells

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50299400
PNG
(CHEMBL584800 | PhCH2Tyr-Gly-Gly-Phe-Leu-Arg-Nalpha...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C71H112N22O12/c1-6-44(4)59(66(103)89-51(25-16-34-81-70(76)77)68(105)93-36-18-27-56(93)65(102)87-49(60(73)97)23-13-14-32-72)91-64(101)55(26-17-35-82-71(78)79)92(5)67(104)50(24-15-33-80-69(74)75)88-62(99)53(37-43(2)3)90-63(100)54(39-45-19-9-7-10-20-45)86-58(96)42-84-57(95)41-85-61(98)52(38-46-28-30-48(94)31-29-46)83-40-47-21-11-8-12-22-47/h7-12,19-22,28-31,43-44,49-56,59,83,94H,6,13-18,23-27,32-42,72H2,1-5H3,(H2,73,97)(H,84,95)(H,85,98)(H,86,96)(H,87,102)(H,88,99)(H,89,103)(H,90,100)(H,91,101)(H4,74,75,80)(H4,76,77,81)(H4,78,79,82)/t44-,49-,50-,51-,52-,53-,54-,55-,56+,59-/m0/s1
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 36.5n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50299401
PNG
(CHEMBL574567 | PhCH2Tyr-Gly-Gly-Phe-Leu-Arg-Nalpha...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7](-[#6])-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C68H106N22O12/c1-41(2)35-51(88-61(98)52(37-43-17-7-5-8-18-43)84-56(93)40-81-55(92)39-82-59(96)50(36-44-26-28-46(91)29-27-44)80-38-45-19-9-6-10-20-45)60(97)87-48(22-13-31-77-66(71)72)64(101)89(4)53(24-15-33-79-68(75)76)62(99)83-42(3)58(95)86-49(23-14-32-78-67(73)74)65(102)90-34-16-25-54(90)63(100)85-47(57(70)94)21-11-12-30-69/h5-10,17-20,26-29,41-42,47-54,80,91H,11-16,21-25,30-40,69H2,1-4H3,(H2,70,94)(H,81,92)(H,82,96)(H,83,99)(H,84,93)(H,85,100)(H,86,95)(H,87,97)(H,88,98)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t42-,47+,48+,49+,50+,51+,52+,53+,54+/m1/s1
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 44.8n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50299402
PNG
(CHEMBL584799 | PhCH2Tyr-Gly-Gly-Phe-Leu-Arg-Arg-ll...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C70H110N22O12/c1-5-43(4)58(66(103)89-51(25-16-34-81-70(77)78)67(104)92-35-17-26-55(92)65(102)86-48(59(72)96)22-12-13-31-71)91-62(99)50(24-15-33-80-69(75)76)87-61(98)49(23-14-32-79-68(73)74)88-63(100)53(36-42(2)3)90-64(101)54(38-44-18-8-6-9-19-44)85-57(95)41-83-56(94)40-84-60(97)52(37-45-27-29-47(93)30-28-45)82-39-46-20-10-7-11-21-46/h6-11,18-21,27-30,42-43,48-55,58,82,93H,5,12-17,22-26,31-41,71H2,1-4H3,(H2,72,96)(H,83,94)(H,84,97)(H,85,95)(H,86,102)(H,87,98)(H,88,100)(H,89,103)(H,90,101)(H,91,99)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t43-,48-,49-,50-,51-,52-,53-,54-,55+,58-/m0/s1
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 45.1n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50299410
PNG
(CHEMBL584801 | PhCH2Tyr-Gly-Gly-Phe-Leu-Arg-Arg-D-...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C67H104N22O12/c1-40(2)34-51(88-62(99)52(36-42-16-6-4-7-17-42)83-55(92)39-80-54(91)38-81-58(95)50(35-43-25-27-45(90)28-26-43)79-37-44-18-8-5-9-19-44)61(98)86-48(22-13-31-77-66(72)73)60(97)85-47(21-12-30-76-65(70)71)59(96)82-41(3)57(94)87-49(23-14-32-78-67(74)75)64(101)89-33-15-24-53(89)63(100)84-46(56(69)93)20-10-11-29-68/h4-9,16-19,25-28,40-41,46-53,79,90H,10-15,20-24,29-39,68H2,1-3H3,(H2,69,93)(H,80,91)(H,81,95)(H,82,96)(H,83,92)(H,84,100)(H,85,97)(H,86,98)(H,87,94)(H,88,99)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t41-,46+,47+,48+,49+,50+,51+,52+,53-/m1/s1
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 46.1n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50299404
PNG
(CHEMBL584595 | PhCH2Tyr-Gly-Gly-Phe-Leu-Arg-Nalpha...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C71H112N22O12/c1-6-44(4)59(66(103)89-51(25-16-34-81-70(76)77)68(105)93-36-18-27-56(93)65(102)87-49(60(73)97)23-13-14-32-72)91-64(101)55(26-17-35-82-71(78)79)92(5)67(104)50(24-15-33-80-69(74)75)88-62(99)53(37-43(2)3)90-63(100)54(39-45-19-9-7-10-20-45)86-58(96)42-84-57(95)41-85-61(98)52(38-46-28-30-48(94)31-29-46)83-40-47-21-11-8-12-22-47/h7-12,19-22,28-31,43-44,49-56,59,83,94H,6,13-18,23-27,32-42,72H2,1-5H3,(H2,73,97)(H,84,95)(H,85,98)(H,86,96)(H,87,102)(H,88,99)(H,89,103)(H,90,100)(H,91,101)(H4,74,75,80)(H4,76,77,81)(H4,78,79,82)/t44-,49-,50-,51-,52-,53-,54-,55-,56-,59-/m0/s1
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 49.9n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50299403
PNG
(CHEMBL584596 | PhCH2Tyr-Gly-Gly-Phe-Leu-Arg-Arg-D-...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C67H104N22O12/c1-40(2)34-51(88-62(99)52(36-42-16-6-4-7-17-42)83-55(92)39-80-54(91)38-81-58(95)50(35-43-25-27-45(90)28-26-43)79-37-44-18-8-5-9-19-44)61(98)86-48(22-13-31-77-66(72)73)60(97)85-47(21-12-30-76-65(70)71)59(96)82-41(3)57(94)87-49(23-14-32-78-67(74)75)64(101)89-33-15-24-53(89)63(100)84-46(56(69)93)20-10-11-29-68/h4-9,16-19,25-28,40-41,46-53,79,90H,10-15,20-24,29-39,68H2,1-3H3,(H2,69,93)(H,80,91)(H,81,95)(H,82,96)(H,83,92)(H,84,100)(H,85,97)(H,86,98)(H,87,94)(H,88,99)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t41-,46+,47+,48+,49+,50+,51+,52+,53+/m1/s1
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 51.2n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50169874
PNG
((N-alpha-benzyl)Tyr-Gly-Gly-Phe-D-Asn-Arg-Arg-Dap(...)
Show SMILES CC(=O)NC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C67H102N24O14/c1-39(92)80-36-51(62(103)88-47(21-12-30-79-67(75)76)64(105)91-31-13-22-52(91)63(104)85-44(56(70)97)18-8-9-27-68)90-59(100)46(20-11-29-78-66(73)74)86-58(99)45(19-10-28-77-65(71)72)87-61(102)50(34-53(69)94)89-60(101)49(33-40-14-4-2-5-15-40)84-55(96)38-82-54(95)37-83-57(98)48(32-41-23-25-43(93)26-24-41)81-35-42-16-6-3-7-17-42/h2-7,14-17,23-26,44-52,81,93H,8-13,18-22,27-38,68H2,1H3,(H2,69,94)(H2,70,97)(H,80,92)(H,82,95)(H,83,98)(H,84,96)(H,85,104)(H,86,99)(H,87,102)(H,88,103)(H,89,101)(H,90,100)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t44-,45-,46-,47-,48-,49-,50+,51-,52-/m0/s1
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 66.9n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa opioid receptor expressed in CHO cells

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50299405
PNG
(CHEMBL584594 | PhCH2Tyr-Gly-Gly-Phe-Leu-Arg-Arg-ll...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C70H110N22O12/c1-5-43(4)58(66(103)89-51(25-16-34-81-70(77)78)67(104)92-35-17-26-55(92)65(102)86-48(59(72)96)22-12-13-31-71)91-62(99)50(24-15-33-80-69(75)76)87-61(98)49(23-14-32-79-68(73)74)88-63(100)53(36-42(2)3)90-64(101)54(38-44-18-8-6-9-19-44)85-57(95)41-83-56(94)40-84-60(97)52(37-45-27-29-47(93)30-28-45)82-39-46-20-10-7-11-21-46/h6-11,18-21,27-30,42-43,48-55,58,82,93H,5,12-17,22-26,31-41,71H2,1-4H3,(H2,72,96)(H,83,94)(H,84,97)(H,85,95)(H,86,102)(H,87,98)(H,88,100)(H,89,103)(H,90,101)(H,91,99)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,58-/m0/s1
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 84.9n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50059583
PNG
(CHEMBL268818 | N-benzyl[D-Pro-10]Dyn A-(1-11) | Ph...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C70H109N21O13/c1-5-43(4)58(65(101)87-50(25-16-34-80-70(76)77)66(102)91-35-17-26-55(91)64(100)88-51(67(103)104)22-12-13-31-71)90-61(97)49(24-15-33-79-69(74)75)85-60(96)48(23-14-32-78-68(72)73)86-62(98)53(36-42(2)3)89-63(99)54(38-44-18-8-6-9-19-44)84-57(94)41-82-56(93)40-83-59(95)52(37-45-27-29-47(92)30-28-45)81-39-46-20-10-7-11-21-46/h6-11,18-21,27-30,42-43,48-55,58,81,92H,5,12-17,22-26,31-41,71H2,1-4H3,(H,82,93)(H,83,95)(H,84,94)(H,85,96)(H,86,98)(H,87,101)(H,88,100)(H,89,99)(H,90,97)(H,103,104)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,58-/m0/s1
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 98.1n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50299400
PNG
(CHEMBL584800 | PhCH2Tyr-Gly-Gly-Phe-Leu-Arg-Nalpha...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C71H112N22O12/c1-6-44(4)59(66(103)89-51(25-16-34-81-70(76)77)68(105)93-36-18-27-56(93)65(102)87-49(60(73)97)23-13-14-32-72)91-64(101)55(26-17-35-82-71(78)79)92(5)67(104)50(24-15-33-80-69(74)75)88-62(99)53(37-43(2)3)90-63(100)54(39-45-19-9-7-10-20-45)86-58(96)42-84-57(95)41-85-61(98)52(38-46-28-30-48(94)31-29-46)83-40-47-21-11-8-12-22-47/h7-12,19-22,28-31,43-44,49-56,59,83,94H,6,13-18,23-27,32-42,72H2,1-5H3,(H2,73,97)(H,84,95)(H,85,98)(H,86,96)(H,87,102)(H,88,99)(H,89,103)(H,90,100)(H,91,101)(H4,74,75,80)(H4,76,77,81)(H4,78,79,82)/t44-,49-,50-,51-,52-,53-,54-,55-,56+,59-/m0/s1
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 120n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse delta opioid receptor expressed in CHO cells

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50299402
PNG
(CHEMBL584799 | PhCH2Tyr-Gly-Gly-Phe-Leu-Arg-Arg-ll...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C70H110N22O12/c1-5-43(4)58(66(103)89-51(25-16-34-81-70(77)78)67(104)92-35-17-26-55(92)65(102)86-48(59(72)96)22-12-13-31-71)91-62(99)50(24-15-33-80-69(75)76)87-61(98)49(23-14-32-79-68(73)74)88-63(100)53(36-42(2)3)90-64(101)54(38-44-18-8-6-9-19-44)85-57(95)41-83-56(94)40-84-60(97)52(37-45-27-29-47(93)30-28-45)82-39-46-20-10-7-11-21-46/h6-11,18-21,27-30,42-43,48-55,58,82,93H,5,12-17,22-26,31-41,71H2,1-4H3,(H2,72,96)(H,83,94)(H,84,97)(H,85,95)(H,86,102)(H,87,98)(H,88,100)(H,89,103)(H,90,101)(H,91,99)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t43-,48-,49-,50-,51-,52-,53-,54-,55+,58-/m0/s1
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 148n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse delta opioid receptor expressed in CHO cells

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50002345
PNG
(CHEMBL407529 | PhCH2Tyr-Gly-Gly-Phe-Leu-Arg-Arg-ll...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C70H109N21O13/c1-5-43(4)58(65(101)87-50(25-16-34-80-70(76)77)66(102)91-35-17-26-55(91)64(100)88-51(67(103)104)22-12-13-31-71)90-61(97)49(24-15-33-79-69(74)75)85-60(96)48(23-14-32-78-68(72)73)86-62(98)53(36-42(2)3)89-63(99)54(38-44-18-8-6-9-19-44)84-57(94)41-82-56(93)40-83-59(95)52(37-45-27-29-47(92)30-28-45)81-39-46-20-10-7-11-21-46/h6-11,18-21,27-30,42-43,48-55,58,81,92H,5,12-17,22-26,31-41,71H2,1-4H3,(H,82,93)(H,83,95)(H,84,94)(H,85,96)(H,86,98)(H,87,101)(H,88,100)(H,89,99)(H,90,97)(H,103,104)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t43-,48-,49-,50-,51-,52-,53-,54-,55+,58-/m0/s1
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 159n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50299407
PNG
(CHEMBL574556 | PhCH2Tyr-Gly-Gly-Phe-Leu-D-Asp-Arg-...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](=O)-[#7]-[#6]-[#6@H](-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C65H95N17O13/c1-5-39(4)55-63(94)80-50(64(95)82-29-15-22-51(82)62(93)76-44(56(67)87)20-12-13-27-66)35-72-52(84)33-49(61(92)77-45(58(89)81-55)21-14-28-70-65(68)69)79-59(90)47(30-38(2)3)78-60(91)48(32-40-16-8-6-9-17-40)75-54(86)37-73-53(85)36-74-57(88)46(31-41-23-25-43(83)26-24-41)71-34-42-18-10-7-11-19-42/h6-11,16-19,23-26,38-39,44-51,55,71,83H,5,12-15,20-22,27-37,66H2,1-4H3,(H2,67,87)(H,72,84)(H,73,85)(H,74,88)(H,75,86)(H,76,93)(H,77,92)(H,78,91)(H,79,90)(H,80,94)(H,81,89)(H4,68,69,70)/t39-,44-,45-,46-,47-,48-,49-,50-,51-,55-/m0/s1
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 245n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa opioid receptor expressed in CHO cells

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50299410
PNG
(CHEMBL584801 | PhCH2Tyr-Gly-Gly-Phe-Leu-Arg-Arg-D-...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C67H104N22O12/c1-40(2)34-51(88-62(99)52(36-42-16-6-4-7-17-42)83-55(92)39-80-54(91)38-81-58(95)50(35-43-25-27-45(90)28-26-43)79-37-44-18-8-5-9-19-44)61(98)86-48(22-13-31-77-66(72)73)60(97)85-47(21-12-30-76-65(70)71)59(96)82-41(3)57(94)87-49(23-14-32-78-67(74)75)64(101)89-33-15-24-53(89)63(100)84-46(56(69)93)20-10-11-29-68/h4-9,16-19,25-28,40-41,46-53,79,90H,10-15,20-24,29-39,68H2,1-3H3,(H2,69,93)(H,80,91)(H,81,95)(H,82,96)(H,83,92)(H,84,100)(H,85,97)(H,86,98)(H,87,94)(H,88,99)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t41-,46+,47+,48+,49+,50+,51+,52+,53-/m1/s1
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 337n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse delta opioid receptor expressed in CHO cells

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50299404
PNG
(CHEMBL584595 | PhCH2Tyr-Gly-Gly-Phe-Leu-Arg-Nalpha...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C71H112N22O12/c1-6-44(4)59(66(103)89-51(25-16-34-81-70(76)77)68(105)93-36-18-27-56(93)65(102)87-49(60(73)97)23-13-14-32-72)91-64(101)55(26-17-35-82-71(78)79)92(5)67(104)50(24-15-33-80-69(74)75)88-62(99)53(37-43(2)3)90-63(100)54(39-45-19-9-7-10-20-45)86-58(96)42-84-57(95)41-85-61(98)52(38-46-28-30-48(94)31-29-46)83-40-47-21-11-8-12-22-47/h7-12,19-22,28-31,43-44,49-56,59,83,94H,6,13-18,23-27,32-42,72H2,1-5H3,(H2,73,97)(H,84,95)(H,85,98)(H,86,96)(H,87,102)(H,88,99)(H,89,103)(H,90,100)(H,91,101)(H4,74,75,80)(H4,76,77,81)(H4,78,79,82)/t44-,49-,50-,51-,52-,53-,54-,55-,56-,59-/m0/s1
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 345n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse delta opioid receptor expressed in CHO cells

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50059583
PNG
(CHEMBL268818 | N-benzyl[D-Pro-10]Dyn A-(1-11) | Ph...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C70H109N21O13/c1-5-43(4)58(65(101)87-50(25-16-34-80-70(76)77)66(102)91-35-17-26-55(91)64(100)88-51(67(103)104)22-12-13-31-71)90-61(97)49(24-15-33-79-69(74)75)85-60(96)48(23-14-32-78-68(72)73)86-62(98)53(36-42(2)3)89-63(99)54(38-44-18-8-6-9-19-44)84-57(94)41-82-56(93)40-83-59(95)52(37-45-27-29-47(92)30-28-45)81-39-46-20-10-7-11-21-46/h6-11,18-21,27-30,42-43,48-55,58,81,92H,5,12-17,22-26,31-41,71H2,1-4H3,(H,82,93)(H,83,95)(H,84,94)(H,85,96)(H,86,98)(H,87,101)(H,88,100)(H,89,99)(H,90,97)(H,103,104)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,58-/m0/s1
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 345n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse delta opioid receptor expressed in CHO cells

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50299403
PNG
(CHEMBL584596 | PhCH2Tyr-Gly-Gly-Phe-Leu-Arg-Arg-D-...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C67H104N22O12/c1-40(2)34-51(88-62(99)52(36-42-16-6-4-7-17-42)83-55(92)39-80-54(91)38-81-58(95)50(35-43-25-27-45(90)28-26-43)79-37-44-18-8-5-9-19-44)61(98)86-48(22-13-31-77-66(72)73)60(97)85-47(21-12-30-76-65(70)71)59(96)82-41(3)57(94)87-49(23-14-32-78-67(74)75)64(101)89-33-15-24-53(89)63(100)84-46(56(69)93)20-10-11-29-68/h4-9,16-19,25-28,40-41,46-53,79,90H,10-15,20-24,29-39,68H2,1-3H3,(H2,69,93)(H,80,91)(H,81,95)(H,82,96)(H,83,92)(H,84,100)(H,85,97)(H,86,98)(H,87,94)(H,88,99)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)/t41-,46+,47+,48+,49+,50+,51+,52+,53+/m1/s1
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 372n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse delta opioid receptor expressed in CHO cells

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50299401
PNG
(CHEMBL574567 | PhCH2Tyr-Gly-Gly-Phe-Leu-Arg-Nalpha...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7](-[#6])-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C68H106N22O12/c1-41(2)35-51(88-61(98)52(37-43-17-7-5-8-18-43)84-56(93)40-81-55(92)39-82-59(96)50(36-44-26-28-46(91)29-27-44)80-38-45-19-9-6-10-20-45)60(97)87-48(22-13-31-77-66(71)72)64(101)89(4)53(24-15-33-79-68(75)76)62(99)83-42(3)58(95)86-49(23-14-32-78-67(73)74)65(102)90-34-16-25-54(90)63(100)85-47(57(70)94)21-11-12-30-69/h5-10,17-20,26-29,41-42,47-54,80,91H,11-16,21-25,30-40,69H2,1-4H3,(H2,70,94)(H,81,92)(H,82,96)(H,83,99)(H,84,93)(H,85,100)(H,86,95)(H,87,97)(H,88,98)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t42-,47+,48+,49+,50+,51+,52+,53+,54+/m1/s1
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 458n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse delta opioid receptor expressed in CHO cells

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50299405
PNG
(CHEMBL584594 | PhCH2Tyr-Gly-Gly-Phe-Leu-Arg-Arg-ll...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C70H110N22O12/c1-5-43(4)58(66(103)89-51(25-16-34-81-70(77)78)67(104)92-35-17-26-55(92)65(102)86-48(59(72)96)22-12-13-31-71)91-62(99)50(24-15-33-80-69(75)76)87-61(98)49(23-14-32-79-68(73)74)88-63(100)53(36-42(2)3)90-64(101)54(38-44-18-8-6-9-19-44)85-57(95)41-83-56(94)40-84-60(97)52(37-45-27-29-47(93)30-28-45)82-39-46-20-10-7-11-21-46/h6-11,18-21,27-30,42-43,48-55,58,82,93H,5,12-17,22-26,31-41,71H2,1-4H3,(H2,72,96)(H,83,94)(H,84,97)(H,85,95)(H,86,102)(H,87,98)(H,88,100)(H,89,103)(H,90,101)(H,91,99)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,58-/m0/s1
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 474n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse delta opioid receptor expressed in CHO cells

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50002345
PNG
(CHEMBL407529 | PhCH2Tyr-Gly-Gly-Phe-Leu-Arg-Arg-ll...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C70H109N21O13/c1-5-43(4)58(65(101)87-50(25-16-34-80-70(76)77)66(102)91-35-17-26-55(91)64(100)88-51(67(103)104)22-12-13-31-71)90-61(97)49(24-15-33-79-69(74)75)85-60(96)48(23-14-32-78-68(72)73)86-62(98)53(36-42(2)3)89-63(99)54(38-44-18-8-6-9-19-44)84-57(94)41-82-56(93)40-83-59(95)52(37-45-27-29-47(92)30-28-45)81-39-46-20-10-7-11-21-46/h6-11,18-21,27-30,42-43,48-55,58,81,92H,5,12-17,22-26,31-41,71H2,1-4H3,(H,82,93)(H,83,95)(H,84,94)(H,85,96)(H,86,98)(H,87,101)(H,88,100)(H,89,99)(H,90,97)(H,103,104)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t43-,48-,49-,50-,51-,52-,53-,54-,55+,58-/m0/s1
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 970n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse delta opioid receptor expressed in CHO cells

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50299407
PNG
(CHEMBL574556 | PhCH2Tyr-Gly-Gly-Phe-Leu-D-Asp-Arg-...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](=O)-[#7]-[#6]-[#6@H](-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C65H95N17O13/c1-5-39(4)55-63(94)80-50(64(95)82-29-15-22-51(82)62(93)76-44(56(67)87)20-12-13-27-66)35-72-52(84)33-49(61(92)77-45(58(89)81-55)21-14-28-70-65(68)69)79-59(90)47(30-38(2)3)78-60(91)48(32-40-16-8-6-9-17-40)75-54(86)37-73-53(85)36-74-57(88)46(31-41-23-25-43(83)26-24-41)71-34-42-18-10-7-11-19-42/h6-11,16-19,23-26,38-39,44-51,55,71,83H,5,12-15,20-22,27-37,66H2,1-4H3,(H2,67,87)(H,72,84)(H,73,85)(H,74,88)(H,75,86)(H,76,93)(H,77,92)(H,78,91)(H,79,90)(H,80,94)(H,81,89)(H4,68,69,70)/t39-,44-,45-,46-,47-,48-,49-,50-,51-,55-/m0/s1
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 1.19E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50299406
PNG
(CHEMBL585003 | PhCH2Tyr-Gly-Gly-Phe-Leu-D-Asn-Arg-...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C67H100N18O14/c1-6-40(4)57(65(98)83-52(36-74-41(5)86)66(99)85-30-16-23-53(85)64(97)79-46(58(70)91)21-13-14-28-68)84-60(93)47(22-15-29-73-67(71)72)80-63(96)51(34-54(69)88)82-61(94)49(31-39(2)3)81-62(95)50(33-42-17-9-7-10-18-42)78-56(90)38-76-55(89)37-77-59(92)48(32-43-24-26-45(87)27-25-43)75-35-44-19-11-8-12-20-44/h7-12,17-20,24-27,39-40,46-53,57,75,87H,6,13-16,21-23,28-38,68H2,1-5H3,(H2,69,88)(H2,70,91)(H,74,86)(H,76,89)(H,77,92)(H,78,90)(H,79,97)(H,80,96)(H,81,95)(H,82,94)(H,83,98)(H,84,93)(H4,71,72,73)/t40-,46-,47-,48-,49+,50-,51-,52-,53-,57-/m0/s1
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 1.50E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50169874
PNG
((N-alpha-benzyl)Tyr-Gly-Gly-Phe-D-Asn-Arg-Arg-Dap(...)
Show SMILES CC(=O)NC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C67H102N24O14/c1-39(92)80-36-51(62(103)88-47(21-12-30-79-67(75)76)64(105)91-31-13-22-52(91)63(104)85-44(56(70)97)18-8-9-27-68)90-59(100)46(20-11-29-78-66(73)74)86-58(99)45(19-10-28-77-65(71)72)87-61(102)50(34-53(69)94)89-60(101)49(33-40-14-4-2-5-15-40)84-55(96)38-82-54(95)37-83-57(98)48(32-41-23-25-43(93)26-24-41)81-35-42-16-6-3-7-17-42/h2-7,14-17,23-26,44-52,81,93H,8-13,18-22,27-38,68H2,1H3,(H2,69,94)(H2,70,97)(H,80,92)(H,82,95)(H,83,98)(H,84,96)(H,85,104)(H,86,99)(H,87,102)(H,88,103)(H,89,101)(H,90,100)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t44-,45-,46-,47-,48-,49-,50+,51-,52-/m0/s1
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 1.66E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50299406
PNG
(CHEMBL585003 | PhCH2Tyr-Gly-Gly-Phe-Leu-D-Asn-Arg-...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C67H100N18O14/c1-6-40(4)57(65(98)83-52(36-74-41(5)86)66(99)85-30-16-23-53(85)64(97)79-46(58(70)91)21-13-14-28-68)84-60(93)47(22-15-29-73-67(71)72)80-63(96)51(34-54(69)88)82-61(94)49(31-39(2)3)81-62(95)50(33-42-17-9-7-10-18-42)78-56(90)38-76-55(89)37-77-59(92)48(32-43-24-26-45(87)27-25-43)75-35-44-19-11-8-12-20-44/h7-12,17-20,24-27,39-40,46-53,57,75,87H,6,13-16,21-23,28-38,68H2,1-5H3,(H2,69,88)(H2,70,91)(H,74,86)(H,76,89)(H,77,92)(H,78,90)(H,79,97)(H,80,96)(H,81,95)(H,82,94)(H,83,98)(H,84,93)(H4,71,72,73)/t40-,46-,47-,48-,49+,50-,51-,52-,53-,57-/m0/s1
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 2.84E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa opioid receptor expressed in CHO cells

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50299407
PNG
(CHEMBL574556 | PhCH2Tyr-Gly-Gly-Phe-Leu-D-Asp-Arg-...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](=O)-[#7]-[#6]-[#6@H](-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C65H95N17O13/c1-5-39(4)55-63(94)80-50(64(95)82-29-15-22-51(82)62(93)76-44(56(67)87)20-12-13-27-66)35-72-52(84)33-49(61(92)77-45(58(89)81-55)21-14-28-70-65(68)69)79-59(90)47(30-38(2)3)78-60(91)48(32-40-16-8-6-9-17-40)75-54(86)37-73-53(85)36-74-57(88)46(31-41-23-25-43(83)26-24-41)71-34-42-18-10-7-11-19-42/h6-11,16-19,23-26,38-39,44-51,55,71,83H,5,12-15,20-22,27-37,66H2,1-4H3,(H2,67,87)(H,72,84)(H,73,85)(H,74,88)(H,75,86)(H,76,93)(H,77,92)(H,78,91)(H,79,90)(H,80,94)(H,81,89)(H4,68,69,70)/t39-,44-,45-,46-,47-,48-,49-,50-,51-,55-/m0/s1
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 3.66E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse delta opioid receptor expressed in CHO cells

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50299406
PNG
(CHEMBL585003 | PhCH2Tyr-Gly-Gly-Phe-Leu-D-Asn-Arg-...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C67H100N18O14/c1-6-40(4)57(65(98)83-52(36-74-41(5)86)66(99)85-30-16-23-53(85)64(97)79-46(58(70)91)21-13-14-28-68)84-60(93)47(22-15-29-73-67(71)72)80-63(96)51(34-54(69)88)82-61(94)49(31-39(2)3)81-62(95)50(33-42-17-9-7-10-18-42)78-56(90)38-76-55(89)37-77-59(92)48(32-43-24-26-45(87)27-25-43)75-35-44-19-11-8-12-20-44/h7-12,17-20,24-27,39-40,46-53,57,75,87H,6,13-16,21-23,28-38,68H2,1-5H3,(H2,69,88)(H2,70,91)(H,74,86)(H,76,89)(H,77,92)(H,78,90)(H,79,97)(H,80,96)(H,81,95)(H,82,94)(H,83,98)(H,84,93)(H4,71,72,73)/t40-,46-,47-,48-,49+,50-,51-,52-,53-,57-/m0/s1
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 4.64E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse delta opioid receptor expressed in CHO cells

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50299408
PNG
(CHEMBL574568 | zyklophin)
Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](=O)-[#7]-[#6]-[#6@H](-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C65H96N20O13/c1-3-38(2)54-62(97)83-49(60(95)81-45(21-13-29-73-65(70)71)63(98)85-30-14-22-50(85)61(96)79-43(55(67)90)19-10-11-27-66)35-75-51(87)33-48(59(94)80-44(57(92)84-54)20-12-28-72-64(68)69)82-58(93)47(32-39-15-6-4-7-16-39)78-53(89)37-76-52(88)36-77-56(91)46(31-40-23-25-42(86)26-24-40)74-34-41-17-8-5-9-18-41/h4-9,15-18,23-26,38,43-50,54,74,86H,3,10-14,19-22,27-37,66H2,1-2H3,(H2,67,90)(H,75,87)(H,76,88)(H,77,91)(H,78,89)(H,79,96)(H,80,94)(H,81,95)(H,82,93)(H,83,97)(H,84,92)(H4,68,69,72)(H4,70,71,73)/t38?,43-,44-,45-,46-,47-,48-,49-,50-,54-/m0/s1
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 5.88E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50299408
PNG
(CHEMBL574568 | zyklophin)
Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](=O)-[#7]-[#6]-[#6@H](-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C65H96N20O13/c1-3-38(2)54-62(97)83-49(60(95)81-45(21-13-29-73-65(70)71)63(98)85-30-14-22-50(85)61(96)79-43(55(67)90)19-10-11-27-66)35-75-51(87)33-48(59(94)80-44(57(92)84-54)20-12-28-72-64(68)69)82-58(93)47(32-39-15-6-4-7-16-39)78-53(89)37-76-52(88)36-77-56(91)46(31-40-23-25-42(86)26-24-40)74-34-41-17-8-5-9-18-41/h4-9,15-18,23-26,38,43-50,54,74,86H,3,10-14,19-22,27-37,66H2,1-2H3,(H2,67,90)(H,75,87)(H,76,88)(H,77,91)(H,78,89)(H,79,96)(H,80,94)(H,81,95)(H,82,93)(H,83,97)(H,84,92)(H4,68,69,72)(H4,70,71,73)/t38?,43-,44-,45-,46-,47-,48-,49-,50-,54-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse delta opioid receptor expressed in CHO cells

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50169874
PNG
((N-alpha-benzyl)Tyr-Gly-Gly-Phe-D-Asn-Arg-Arg-Dap(...)
Show SMILES CC(=O)NC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C67H102N24O14/c1-39(92)80-36-51(62(103)88-47(21-12-30-79-67(75)76)64(105)91-31-13-22-52(91)63(104)85-44(56(70)97)18-8-9-27-68)90-59(100)46(20-11-29-78-66(73)74)86-58(99)45(19-10-28-77-65(71)72)87-61(102)50(34-53(69)94)89-60(101)49(33-40-14-4-2-5-15-40)84-55(96)38-82-54(95)37-83-57(98)48(32-41-23-25-43(93)26-24-41)81-35-42-16-6-3-7-17-42/h2-7,14-17,23-26,44-52,81,93H,8-13,18-22,27-38,68H2,1H3,(H2,69,94)(H2,70,97)(H,80,92)(H,82,95)(H,83,98)(H,84,96)(H,85,104)(H,86,99)(H,87,102)(H,88,103)(H,89,101)(H,90,100)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t44-,45-,46-,47-,48-,49-,50+,51-,52-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse delta opioid receptor expressed in CHO cells

J Med Chem 52: 6814-21 (2009)


Article DOI: 10.1021/jm900715m
BindingDB Entry DOI: 10.7270/Q2T153PH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%