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PubMed code 26491810

Compile data set for download or QSAR
Found 35 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))
BDBM50133217
PNG
(CHEMBL3634917)
Show SMILES CC(C)C[C@H](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)N[C@@H](CCCNC(N)=N)C(=O)NCC(NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1/C69H107N23O13/c1-41(2)34-52(91-63(102)53(36-43-16-6-4-7-17-43)86-57(96)40-82-56(95)39-84-60(99)51(35-44-25-27-46(94)28-26-44)81-37-45-18-8-5-9-19-45)62(101)89-49(22-13-31-79-68(74)75)61(100)88-48(21-12-30-78-67(72)73)59(98)83-38-54(85-42(3)93)64(103)90-50(23-14-32-80-69(76)77)66(105)92-33-15-24-55(92)65(104)87-47(58(71)97)20-10-11-29-70/h4-9,16-19,25-28,41,47-55,81,94H,10-15,20-24,29-40,70H2,1-3H3,(H2,71,97)(H,82,95)(H,83,98)(H,84,99)(H,85,93)(H,86,96)(H,87,104)(H,88,100)(H,89,101)(H,90,103)(H,91,102)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t47-,48-,49-,50-,51-,52-,53-,54?,55-/s2
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29n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133220
PNG
(CHEMBL3634920)
Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1CNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCC2CC2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r|
Show InChI InChI=1/C62H97N23O13/c63-23-5-4-12-39(51(64)90)79-58(97)47-16-9-27-85(47)59(98)42(15-8-26-73-62(69)70)82-57(96)46-32-75-48(87)30-45(56(95)81-40(13-6-24-71-60(65)66)53(92)80-41(54(93)84-46)14-7-25-72-61(67)68)83-55(94)44(29-35-10-2-1-3-11-35)78-50(89)34-76-49(88)33-77-52(91)43(74-31-37-17-18-37)28-36-19-21-38(86)22-20-36/h1-3,10-11,19-22,37,39-47,74,86H,4-9,12-18,23-34,63H2,(H2,64,90)(H,75,87)(H,76,88)(H,77,91)(H,78,89)(H,79,97)(H,80,92)(H,81,95)(H,82,96)(H,83,94)(H,84,93)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t39-,40-,41-,42-,43-,44-,45+,46?,47-/s2
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44n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133221
PNG
(CHEMBL3634921)
Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1CNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCCc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r|
Show InChI InChI=1/C66H99N23O13/c67-27-8-7-17-43(55(68)94)83-62(101)51-21-12-32-89(51)63(102)46(20-11-30-78-66(73)74)86-61(100)50-36-79-52(91)35-49(60(99)85-44(18-9-28-76-64(69)70)57(96)84-45(58(97)88-50)19-10-29-77-65(71)72)87-59(98)48(34-40-15-5-2-6-16-40)82-54(93)38-80-53(92)37-81-56(95)47(33-41-22-24-42(90)25-23-41)75-31-26-39-13-3-1-4-14-39/h1-6,13-16,22-25,43-51,75,90H,7-12,17-21,26-38,67H2,(H2,68,94)(H,79,91)(H,80,92)(H,81,95)(H,82,93)(H,83,101)(H,84,96)(H,85,99)(H,86,100)(H,87,98)(H,88,97)(H4,69,70,76)(H4,71,72,77)(H4,73,74,78)/t43-,44-,45-,46-,47-,48-,49+,50?,51-/s2
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62n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133260
PNG
(CHEMBL3634927)
Show SMILES C[C@H](NC(=O)C1CNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NCc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1/C62H90N20O12/c1-37(60(94)82-29-15-25-48(82)59(93)77-41(52(64)86)22-11-12-26-63)75-58(92)47-34-72-49(83)32-46(57(91)79-42(23-13-27-69-61(65)66)54(88)78-43(55(89)81-47)24-14-28-70-62(67)68)80-56(90)45(31-39-18-7-3-8-19-39)76-51(85)36-73-50(84)35-74-53(87)44(30-38-16-5-2-6-17-38)71-33-40-20-9-4-10-21-40/h2-10,16-21,37,41-48,71H,11-15,22-36,63H2,1H3,(H2,64,86)(H,72,83)(H,73,84)(H,74,87)(H,75,92)(H,76,85)(H,77,93)(H,78,88)(H,79,91)(H,80,90)(H,81,89)(H4,65,66,69)(H4,67,68,70)/t37-,41-,42-,43-,44-,45-,46+,47?,48-/s2
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69n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50012153
PNG
(ZYKLOPHIN | zyklophin)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)NC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)[C@@H](C)CC |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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95n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133217
PNG
(CHEMBL3634917)
Show SMILES CC(C)C[C@H](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)N[C@@H](CCCNC(N)=N)C(=O)NCC(NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1/C69H107N23O13/c1-41(2)34-52(91-63(102)53(36-43-16-6-4-7-17-43)86-57(96)40-82-56(95)39-84-60(99)51(35-44-25-27-46(94)28-26-44)81-37-45-18-8-5-9-19-45)62(101)89-49(22-13-31-79-68(74)75)61(100)88-48(21-12-30-78-67(72)73)59(98)83-38-54(85-42(3)93)64(103)90-50(23-14-32-80-69(76)77)66(105)92-33-15-24-55(92)65(104)87-47(58(71)97)20-10-11-29-70/h4-9,16-19,25-28,41,47-55,81,94H,10-15,20-24,29-40,70H2,1-3H3,(H2,71,97)(H,82,95)(H,83,98)(H,84,99)(H,85,93)(H,86,96)(H,87,104)(H,88,100)(H,89,101)(H,90,103)(H,91,102)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t47-,48-,49-,50-,51-,52-,53-,54?,55-/s2
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157n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133218
PNG
(CHEMBL3634918)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CC(=O)NCC(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1/C59H93N23O13/c1-68-40(27-34-18-20-35(83)21-19-34)49(88)74-31-46(85)73-32-47(86)75-41(28-33-11-3-2-4-12-33)52(91)80-42-29-45(84)72-30-43(81-51(90)38(15-8-24-70-58(64)65)77-50(89)37(78-53(42)92)14-7-23-69-57(62)63)54(93)79-39(16-9-25-71-59(66)67)56(95)82-26-10-17-44(82)55(94)76-36(48(61)87)13-5-6-22-60/h2-4,11-12,18-21,36-44,68,83H,5-10,13-17,22-32,60H2,1H3,(H2,61,87)(H,72,84)(H,73,85)(H,74,88)(H,75,86)(H,76,94)(H,77,89)(H,78,92)(H,79,93)(H,80,91)(H,81,90)(H4,62,63,69)(H4,64,65,70)(H4,66,67,71)/t36-,37-,38-,39-,40-,41-,42+,43?,44-/s2
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160n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133256
PNG
(CHEMBL3632647)
Show SMILES C[C@H](NC(=O)C1CNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1/C62H90N20O13/c1-36(60(95)82-28-12-20-48(82)59(94)77-41(52(64)87)17-8-9-25-63)75-58(93)47-33-72-49(84)31-46(57(92)79-42(18-10-26-69-61(65)66)54(89)78-43(55(90)81-47)19-11-27-70-62(67)68)80-56(91)45(30-37-13-4-2-5-14-37)76-51(86)35-73-50(85)34-74-53(88)44(29-38-21-23-40(83)24-22-38)71-32-39-15-6-3-7-16-39/h2-7,13-16,21-24,36,41-48,71,83H,8-12,17-20,25-35,63H2,1H3,(H2,64,87)(H,72,84)(H,73,85)(H,74,88)(H,75,93)(H,76,86)(H,77,94)(H,78,89)(H,79,92)(H,80,91)(H,81,90)(H4,65,66,69)(H4,67,68,70)/t36-,41-,42-,43-,44-,45-,46+,47?,48-/s2
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168n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133263
PNG
(CHEMBL3634929)
Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1CCCNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r|
Show InChI InChI=1/C67H101N23O13/c68-28-8-7-18-44(56(69)95)84-63(102)52-23-13-33-90(52)64(103)48(22-12-32-79-67(74)75)88-60(99)47-19-9-29-76-53(92)36-51(62(101)87-46(21-11-31-78-66(72)73)59(98)85-45(58(97)86-47)20-10-30-77-65(70)71)89-61(100)50(35-40-14-3-1-4-15-40)83-55(94)39-81-54(93)38-82-57(96)49(34-41-24-26-43(91)27-25-41)80-37-42-16-5-2-6-17-42/h1-6,14-17,24-27,44-52,80,91H,7-13,18-23,28-39,68H2,(H2,69,95)(H,76,92)(H,81,93)(H,82,96)(H,83,94)(H,84,102)(H,85,98)(H,86,97)(H,87,101)(H,88,99)(H,89,100)(H4,70,71,77)(H4,72,73,78)(H4,74,75,79)/t44-,45-,46-,47?,48-,49-,50-,51+,52-/s2
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222n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133255
PNG
(CHEMBL3634926)
Show SMILES C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CC(=O)NCC(NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1 |r|
Show InChI InChI=1/C62H90N20O13/c1-36-53(88)81-47(58(93)79-43(19-11-27-70-62(67)68)60(95)82-28-12-20-48(82)59(94)77-41(52(64)87)17-8-9-25-63)33-72-49(84)31-46(57(92)78-42(55(90)75-36)18-10-26-69-61(65)66)80-56(91)45(30-37-13-4-2-5-14-37)76-51(86)35-73-50(85)34-74-54(89)44(29-38-21-23-40(83)24-22-38)71-32-39-15-6-3-7-16-39/h2-7,13-16,21-24,36,41-48,71,83H,8-12,17-20,25-35,63H2,1H3,(H2,64,87)(H,72,84)(H,73,85)(H,74,89)(H,75,90)(H,76,86)(H,77,94)(H,78,92)(H,79,93)(H,80,91)(H,81,88)(H4,65,66,69)(H4,67,68,70)/t36-,41-,42-,43-,44-,45-,46+,47?,48-/s2
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293n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133219
PNG
(CHEMBL3634919)
Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1CNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCC=C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r|
Show InChI InChI=1/C61H95N23O13/c1-2-24-70-42(29-36-19-21-37(85)22-20-36)51(90)76-33-48(87)75-34-49(88)77-43(30-35-12-4-3-5-13-35)54(93)82-44-31-47(86)74-32-45(83-53(92)40(16-9-26-72-60(66)67)79-52(91)39(80-55(44)94)15-8-25-71-59(64)65)56(95)81-41(17-10-27-73-61(68)69)58(97)84-28-11-18-46(84)57(96)78-38(50(63)89)14-6-7-23-62/h2-5,12-13,19-22,38-46,70,85H,1,6-11,14-18,23-34,62H2,(H2,63,89)(H,74,86)(H,75,87)(H,76,90)(H,77,88)(H,78,96)(H,79,91)(H,80,94)(H,81,95)(H,82,93)(H,83,92)(H4,64,65,71)(H4,66,67,72)(H4,68,69,73)/t38-,39-,40-,41-,42-,43-,44+,45?,46-/s2
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326n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133222
PNG
(CHEMBL3634922)
Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1CNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r|
Show InChI InChI=1/C65H95N23O14/c66-26-8-7-17-41(53(67)93)81-61(101)49-21-12-30-88(49)62(102)44(20-11-29-76-65(72)73)84-60(100)48-34-77-50(90)33-47(59(99)83-42(18-9-27-74-63(68)69)56(96)82-43(57(97)87-48)19-10-28-75-64(70)71)86-58(98)46(31-37-13-3-1-4-14-37)80-52(92)36-78-51(91)35-79-55(95)45(32-38-22-24-40(89)25-23-38)85-54(94)39-15-5-2-6-16-39/h1-6,13-16,22-25,41-49,89H,7-12,17-21,26-36,66H2,(H2,67,93)(H,77,90)(H,78,91)(H,79,95)(H,80,92)(H,81,101)(H,82,96)(H,83,99)(H,84,100)(H,85,94)(H,86,98)(H,87,97)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t41-,42-,43-,44-,45-,46-,47+,48?,49-/s2
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346n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133262
PNG
(CHEMBL3634928)
Show SMILES CC1NC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1/C66H99N23O13/c1-38-54(62(101)86-46(21-12-30-77-66(73)74)63(102)89-31-13-22-50(89)61(100)83-43(55(68)94)18-8-9-27-67)88-58(97)45(20-11-29-76-65(71)72)84-57(96)44(19-10-28-75-64(69)70)85-60(99)49(34-51(91)81-38)87-59(98)48(33-39-14-4-2-5-15-39)82-53(93)37-79-52(92)36-80-56(95)47(32-40-23-25-42(90)26-24-40)78-35-41-16-6-3-7-17-41/h2-7,14-17,23-26,38,43-50,54,78,90H,8-13,18-22,27-37,67H2,1H3,(H2,68,94)(H,79,92)(H,80,95)(H,81,91)(H,82,93)(H,83,100)(H,84,96)(H,85,99)(H,86,101)(H,87,98)(H,88,97)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t38?,43-,44-,45-,46-,47-,48-,49+,50-,54?/s2
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403n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133266
PNG
(CHEMBL3634930)
Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1CCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r|
Show InChI InChI=1/C67H101N23O13/c68-28-8-7-18-44(56(69)95)84-63(102)52-23-13-33-90(52)64(103)48(22-12-32-79-67(74)75)88-60(99)47-19-9-29-76-53(92)36-51(62(101)87-46(21-11-31-78-66(72)73)59(98)85-45(58(97)86-47)20-10-30-77-65(70)71)89-61(100)50(35-40-14-3-1-4-15-40)83-55(94)39-81-54(93)38-82-57(96)49(34-41-24-26-43(91)27-25-41)80-37-42-16-5-2-6-17-42/h1-6,14-17,24-27,44-52,80,91H,7-13,18-23,28-39,68H2,(H2,69,95)(H,76,92)(H,81,93)(H,82,96)(H,83,94)(H,84,102)(H,85,98)(H,86,97)(H,87,101)(H,88,99)(H,89,100)(H4,70,71,77)(H4,72,73,78)(H4,74,75,79)/t44-,45-,46-,47?,48-,49-,50-,51-,52-/s2
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410n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133216
PNG
(CHEMBL3634916)
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(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 |r|
Show InChI InChI=1/C68H105N23O13/c1-3-40(2)56(64(103)88-48(23-14-32-80-68(76)77)65(104)91-33-15-24-52(91)63(102)85-45(57(71)96)20-10-11-29-69)90-60(99)47(22-13-31-79-67(74)75)86-59(98)46(21-12-30-78-66(72)73)87-62(101)51(36-53(70)93)89-61(100)50(35-41-16-6-4-7-17-41)84-55(95)39-82-54(94)38-83-58(97)49(34-42-25-27-44(92)28-26-42)81-37-43-18-8-5-9-19-43/h4-9,16-19,25-28,40,45-52,56,81,92H,3,10-15,20-24,29-39,69H2,1-2H3,(H2,70,93)(H2,71,96)(H,82,94)(H,83,97)(H,84,95)(H,85,102)(H,86,98)(H,87,101)(H,88,103)(H,89,100)(H,90,99)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t40-,45-,46-,47-,48-,49-,50-,51+,52-,56-/s2
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412n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133252
PNG
(CHEMBL3634923)
Show SMILES C[C@H](NCc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CC(=O)NCC(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1/C59H93N23O12/c1-34(71-30-36-16-6-3-7-17-36)49(87)74-32-46(84)73-33-47(85)75-41(28-35-14-4-2-5-15-35)52(90)80-42-29-45(83)72-31-43(81-51(89)39(20-11-25-69-58(64)65)77-50(88)38(78-53(42)91)19-10-24-68-57(62)63)54(92)79-40(21-12-26-70-59(66)67)56(94)82-27-13-22-44(82)55(93)76-37(48(61)86)18-8-9-23-60/h2-7,14-17,34,37-44,71H,8-13,18-33,60H2,1H3,(H2,61,86)(H,72,83)(H,73,84)(H,74,87)(H,75,85)(H,76,93)(H,77,88)(H,78,91)(H,79,92)(H,80,90)(H,81,89)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t34-,37-,38-,39-,40-,41-,42+,43?,44-/s2
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516n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133218
PNG
(CHEMBL3634918)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CC(=O)NCC(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1/C59H93N23O13/c1-68-40(27-34-18-20-35(83)21-19-34)49(88)74-31-46(85)73-32-47(86)75-41(28-33-11-3-2-4-12-33)52(91)80-42-29-45(84)72-30-43(81-51(90)38(15-8-24-70-58(64)65)77-50(89)37(78-53(42)92)14-7-23-69-57(62)63)54(93)79-39(16-9-25-71-59(66)67)56(95)82-26-10-17-44(82)55(94)76-36(48(61)87)13-5-6-22-60/h2-4,11-12,18-21,36-44,68,83H,5-10,13-17,22-32,60H2,1H3,(H2,61,87)(H,72,84)(H,73,85)(H,74,88)(H,75,86)(H,76,94)(H,77,89)(H,78,92)(H,79,93)(H,80,91)(H,81,90)(H4,62,63,69)(H4,64,65,70)(H4,66,67,71)/t36-,37-,38-,39-,40-,41-,42+,43?,44-/s2
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1.49E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133254
PNG
(CHEMBL3634925)
Show SMILES C[C@@H]1NC(=O)[C@@H](CC(=O)NCC(NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1 |r|
Show InChI InChI=1/C62H90N20O13/c1-36-53(88)78-42(18-10-26-69-61(65)66)55(90)81-47(58(93)79-43(19-11-27-70-62(67)68)60(95)82-28-12-20-48(82)59(94)77-41(52(64)87)17-8-9-25-63)33-72-49(84)31-46(56(91)75-36)80-57(92)45(30-37-13-4-2-5-14-37)76-51(86)35-73-50(85)34-74-54(89)44(29-38-21-23-40(83)24-22-38)71-32-39-15-6-3-7-16-39/h2-7,13-16,21-24,36,41-48,71,83H,8-12,17-20,25-35,63H2,1H3,(H2,64,87)(H,72,84)(H,73,85)(H,74,89)(H,75,91)(H,76,86)(H,77,94)(H,78,88)(H,79,93)(H,80,92)(H,81,90)(H4,65,66,69)(H4,67,68,70)/t36-,41-,42-,43-,44-,45-,46+,47?,48-/s2
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1.75E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133216
PNG
(CHEMBL3634916)
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(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 |r|
Show InChI InChI=1/C68H105N23O13/c1-3-40(2)56(64(103)88-48(23-14-32-80-68(76)77)65(104)91-33-15-24-52(91)63(102)85-45(57(71)96)20-10-11-29-69)90-60(99)47(22-13-31-79-67(74)75)86-59(98)46(21-12-30-78-66(72)73)87-62(101)51(36-53(70)93)89-61(100)50(35-41-16-6-4-7-17-41)84-55(95)39-82-54(94)38-83-58(97)49(34-42-25-27-44(92)28-26-42)81-37-43-18-8-5-9-19-43/h4-9,16-19,25-28,40,45-52,56,81,92H,3,10-15,20-24,29-39,69H2,1-2H3,(H2,70,93)(H2,71,96)(H,82,94)(H,83,97)(H,84,95)(H,85,102)(H,86,98)(H,87,101)(H,88,103)(H,89,100)(H,90,99)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t40-,45-,46-,47-,48-,49-,50-,51+,52-,56-/s2
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2.44E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133256
PNG
(CHEMBL3632647)
Show SMILES C[C@H](NC(=O)C1CNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1/C62H90N20O13/c1-36(60(95)82-28-12-20-48(82)59(94)77-41(52(64)87)17-8-9-25-63)75-58(93)47-33-72-49(84)31-46(57(92)79-42(18-10-26-69-61(65)66)54(89)78-43(55(90)81-47)19-11-27-70-62(67)68)80-56(91)45(30-37-13-4-2-5-14-37)76-51(86)35-73-50(85)34-74-53(88)44(29-38-21-23-40(83)24-22-38)71-32-39-15-6-3-7-16-39/h2-7,13-16,21-24,36,41-48,71,83H,8-12,17-20,25-35,63H2,1H3,(H2,64,87)(H,72,84)(H,73,85)(H,74,88)(H,75,93)(H,76,86)(H,77,94)(H,78,89)(H,79,92)(H,80,91)(H,81,90)(H4,65,66,69)(H4,67,68,70)/t36-,41-,42-,43-,44-,45-,46+,47?,48-/s2
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2.55E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133266
PNG
(CHEMBL3634930)
Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1CCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r|
Show InChI InChI=1/C67H101N23O13/c68-28-8-7-18-44(56(69)95)84-63(102)52-23-13-33-90(52)64(103)48(22-12-32-79-67(74)75)88-60(99)47-19-9-29-76-53(92)36-51(62(101)87-46(21-11-31-78-66(72)73)59(98)85-45(58(97)86-47)20-10-30-77-65(70)71)89-61(100)50(35-40-14-3-1-4-15-40)83-55(94)39-81-54(93)38-82-57(96)49(34-41-24-26-43(91)27-25-41)80-37-42-16-5-2-6-17-42/h1-6,14-17,24-27,44-52,80,91H,7-13,18-23,28-39,68H2,(H2,69,95)(H,76,92)(H,81,93)(H,82,96)(H,83,94)(H,84,102)(H,85,98)(H,86,97)(H,87,101)(H,88,99)(H,89,100)(H4,70,71,77)(H4,72,73,78)(H4,74,75,79)/t44-,45-,46-,47?,48-,49-,50-,51-,52-/s2
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2.61E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133262
PNG
(CHEMBL3634928)
Show SMILES CC1NC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1/C66H99N23O13/c1-38-54(62(101)86-46(21-12-30-77-66(73)74)63(102)89-31-13-22-50(89)61(100)83-43(55(68)94)18-8-9-27-67)88-58(97)45(20-11-29-76-65(71)72)84-57(96)44(19-10-28-75-64(69)70)85-60(99)49(34-51(91)81-38)87-59(98)48(33-39-14-4-2-5-15-39)82-53(93)37-79-52(92)36-80-56(95)47(32-40-23-25-42(90)26-24-40)78-35-41-16-6-3-7-17-41/h2-7,14-17,23-26,38,43-50,54,78,90H,8-13,18-22,27-37,67H2,1H3,(H2,68,94)(H,79,92)(H,80,95)(H,81,91)(H,82,93)(H,83,100)(H,84,96)(H,85,99)(H,86,101)(H,87,98)(H,88,97)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t38?,43-,44-,45-,46-,47-,48-,49+,50-,54?/s2
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3.20E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133253
PNG
(CHEMBL3634924)
Show SMILES C[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H]1CC(=O)NCC(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1/C59H93N23O13/c1-33(75-47(86)32-73-46(85)31-74-50(89)41(27-34-18-20-36(83)21-19-34)71-29-35-11-3-2-4-12-35)49(88)80-42-28-45(84)72-30-43(81-52(91)39(15-8-24-69-58(64)65)77-51(90)38(78-53(42)92)14-7-23-68-57(62)63)54(93)79-40(16-9-25-70-59(66)67)56(95)82-26-10-17-44(82)55(94)76-37(48(61)87)13-5-6-22-60/h2-4,11-12,18-21,33,37-44,71,83H,5-10,13-17,22-32,60H2,1H3,(H2,61,87)(H,72,84)(H,73,85)(H,74,89)(H,75,86)(H,76,94)(H,77,90)(H,78,92)(H,79,93)(H,80,88)(H,81,91)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t33-,37-,38-,39-,40-,41-,42+,43?,44-/s2
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4.01E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50012153
PNG
(ZYKLOPHIN | zyklophin)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)NC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)[C@@H](C)CC |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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4.38E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133263
PNG
(CHEMBL3634929)
Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1CCCNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r|
Show InChI InChI=1/C67H101N23O13/c68-28-8-7-18-44(56(69)95)84-63(102)52-23-13-33-90(52)64(103)48(22-12-32-79-67(74)75)88-60(99)47-19-9-29-76-53(92)36-51(62(101)87-46(21-11-31-78-66(72)73)59(98)85-45(58(97)86-47)20-10-30-77-65(70)71)89-61(100)50(35-40-14-3-1-4-15-40)83-55(94)39-81-54(93)38-82-57(96)49(34-41-24-26-43(91)27-25-41)80-37-42-16-5-2-6-17-42/h1-6,14-17,24-27,44-52,80,91H,7-13,18-23,28-39,68H2,(H2,69,95)(H,76,92)(H,81,93)(H,82,96)(H,83,94)(H,84,102)(H,85,98)(H,86,97)(H,87,101)(H,88,99)(H,89,100)(H4,70,71,77)(H4,72,73,78)(H4,74,75,79)/t44-,45-,46-,47?,48-,49-,50-,51+,52-/s2
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8.26E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133221
PNG
(CHEMBL3634921)
Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1CNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCCc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r|
Show InChI InChI=1/C66H99N23O13/c67-27-8-7-17-43(55(68)94)83-62(101)51-21-12-32-89(51)63(102)46(20-11-30-78-66(73)74)86-61(100)50-36-79-52(91)35-49(60(99)85-44(18-9-28-76-64(69)70)57(96)84-45(58(97)88-50)19-10-29-77-65(71)72)87-59(98)48(34-40-15-5-2-6-16-40)82-54(93)38-80-53(92)37-81-56(95)47(33-41-22-24-42(90)25-23-41)75-31-26-39-13-3-1-4-14-39/h1-6,13-16,22-25,43-51,75,90H,7-12,17-21,26-38,67H2,(H2,68,94)(H,79,91)(H,80,92)(H,81,95)(H,82,93)(H,83,101)(H,84,96)(H,85,99)(H,86,100)(H,87,98)(H,88,97)(H4,69,70,76)(H4,71,72,77)(H4,73,74,78)/t43-,44-,45-,46-,47-,48-,49+,50?,51-/s2
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8.47E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133255
PNG
(CHEMBL3634926)
Show SMILES C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CC(=O)NCC(NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1 |r|
Show InChI InChI=1/C62H90N20O13/c1-36-53(88)81-47(58(93)79-43(19-11-27-70-62(67)68)60(95)82-28-12-20-48(82)59(94)77-41(52(64)87)17-8-9-25-63)33-72-49(84)31-46(57(92)78-42(55(90)75-36)18-10-26-69-61(65)66)80-56(91)45(30-37-13-4-2-5-14-37)76-51(86)35-73-50(85)34-74-54(89)44(29-38-21-23-40(83)24-22-38)71-32-39-15-6-3-7-16-39/h2-7,13-16,21-24,36,41-48,71,83H,8-12,17-20,25-35,63H2,1H3,(H2,64,87)(H,72,84)(H,73,85)(H,74,89)(H,75,90)(H,76,86)(H,77,94)(H,78,92)(H,79,93)(H,80,91)(H,81,88)(H4,65,66,69)(H4,67,68,70)/t36-,41-,42-,43-,44-,45-,46+,47?,48-/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133252
PNG
(CHEMBL3634923)
Show SMILES C[C@H](NCc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CC(=O)NCC(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1/C59H93N23O12/c1-34(71-30-36-16-6-3-7-17-36)49(87)74-32-46(84)73-33-47(85)75-41(28-35-14-4-2-5-15-35)52(90)80-42-29-45(83)72-31-43(81-51(89)39(20-11-25-69-58(64)65)77-50(88)38(78-53(42)91)19-10-24-68-57(62)63)54(92)79-40(21-12-26-70-59(66)67)56(94)82-27-13-22-44(82)55(93)76-37(48(61)86)18-8-9-23-60/h2-7,14-17,34,37-44,71H,8-13,18-33,60H2,1H3,(H2,61,86)(H,72,83)(H,73,84)(H,74,87)(H,75,85)(H,76,93)(H,77,88)(H,78,91)(H,79,92)(H,80,90)(H,81,89)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t34-,37-,38-,39-,40-,41-,42+,43?,44-/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133253
PNG
(CHEMBL3634924)
Show SMILES C[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H]1CC(=O)NCC(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1/C59H93N23O13/c1-33(75-47(86)32-73-46(85)31-74-50(89)41(27-34-18-20-36(83)21-19-34)71-29-35-11-3-2-4-12-35)49(88)80-42-28-45(84)72-30-43(81-52(91)39(15-8-24-69-58(64)65)77-51(90)38(78-53(42)92)14-7-23-68-57(62)63)54(93)79-40(16-9-25-70-59(66)67)56(95)82-26-10-17-44(82)55(94)76-37(48(61)87)13-5-6-22-60/h2-4,11-12,18-21,33,37-44,71,83H,5-10,13-17,22-32,60H2,1H3,(H2,61,87)(H,72,84)(H,73,85)(H,74,89)(H,75,86)(H,76,94)(H,77,90)(H,78,92)(H,79,93)(H,80,88)(H,81,91)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t33-,37-,38-,39-,40-,41-,42+,43?,44-/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133222
PNG
(CHEMBL3634922)
Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1CNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r|
Show InChI InChI=1/C65H95N23O14/c66-26-8-7-17-41(53(67)93)81-61(101)49-21-12-30-88(49)62(102)44(20-11-29-76-65(72)73)84-60(100)48-34-77-50(90)33-47(59(99)83-42(18-9-27-74-63(68)69)56(96)82-43(57(97)87-48)19-10-28-75-64(70)71)86-58(98)46(31-37-13-3-1-4-14-37)80-52(92)36-78-51(91)35-79-55(95)45(32-38-22-24-40(89)25-23-38)85-54(94)39-15-5-2-6-16-39/h1-6,13-16,22-25,41-49,89H,7-12,17-21,26-36,66H2,(H2,67,93)(H,77,90)(H,78,91)(H,79,95)(H,80,92)(H,81,101)(H,82,96)(H,83,99)(H,84,100)(H,85,94)(H,86,98)(H,87,97)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t41-,42-,43-,44-,45-,46-,47+,48?,49-/s2
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1.06E+4n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133220
PNG
(CHEMBL3634920)
Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1CNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCC2CC2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r|
Show InChI InChI=1/C62H97N23O13/c63-23-5-4-12-39(51(64)90)79-58(97)47-16-9-27-85(47)59(98)42(15-8-26-73-62(69)70)82-57(96)46-32-75-48(87)30-45(56(95)81-40(13-6-24-71-60(65)66)53(92)80-41(54(93)84-46)14-7-25-72-61(67)68)83-55(94)44(29-35-10-2-1-3-11-35)78-50(89)34-76-49(88)33-77-52(91)43(74-31-37-17-18-37)28-36-19-21-38(86)22-20-36/h1-3,10-11,19-22,37,39-47,74,86H,4-9,12-18,23-34,63H2,(H2,64,90)(H,75,87)(H,76,88)(H,77,91)(H,78,89)(H,79,97)(H,80,92)(H,81,95)(H,82,96)(H,83,94)(H,84,93)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t39-,40-,41-,42-,43-,44-,45+,46?,47-/s2
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1.09E+4n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133219
PNG
(CHEMBL3634919)
Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1CNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCC=C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r|
Show InChI InChI=1/C61H95N23O13/c1-2-24-70-42(29-36-19-21-37(85)22-20-36)51(90)76-33-48(87)75-34-49(88)77-43(30-35-12-4-3-5-13-35)54(93)82-44-31-47(86)74-32-45(83-53(92)40(16-9-26-72-60(66)67)79-52(91)39(80-55(44)94)15-8-25-71-59(64)65)56(95)81-41(17-10-27-73-61(68)69)58(97)84-28-11-18-46(84)57(96)78-38(50(63)89)14-6-7-23-62/h2-5,12-13,19-22,38-46,70,85H,1,6-11,14-18,23-34,62H2,(H2,63,89)(H,74,86)(H,75,87)(H,76,90)(H,77,88)(H,78,96)(H,79,91)(H,80,94)(H,81,95)(H,82,93)(H,83,92)(H4,64,65,71)(H4,66,67,72)(H4,68,69,73)/t38-,39-,40-,41-,42-,43-,44+,45?,46-/s2
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1.10E+4n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133260
PNG
(CHEMBL3634927)
Show SMILES C[C@H](NC(=O)C1CNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NCc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1/C62H90N20O12/c1-37(60(94)82-29-15-25-48(82)59(93)77-41(52(64)86)22-11-12-26-63)75-58(92)47-34-72-49(83)32-46(57(91)79-42(23-13-27-69-61(65)66)54(88)78-43(55(89)81-47)24-14-28-70-62(67)68)80-56(90)45(31-39-18-7-3-8-19-39)76-51(85)36-73-50(84)35-74-53(87)44(30-38-16-5-2-6-17-38)71-33-40-20-9-4-10-21-40/h2-10,16-21,37,41-48,71H,11-15,22-36,63H2,1H3,(H2,64,86)(H,72,83)(H,73,84)(H,74,87)(H,75,92)(H,76,85)(H,77,93)(H,78,88)(H,79,91)(H,80,90)(H,81,89)(H4,65,66,69)(H4,67,68,70)/t37-,41-,42-,43-,44-,45-,46+,47?,48-/s2
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PC cid
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1.13E+4n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133254
PNG
(CHEMBL3634925)
Show SMILES C[C@@H]1NC(=O)[C@@H](CC(=O)NCC(NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1 |r|
Show InChI InChI=1/C62H90N20O13/c1-36-53(88)78-42(18-10-26-69-61(65)66)55(90)81-47(58(93)79-43(19-11-27-70-62(67)68)60(95)82-28-12-20-48(82)59(94)77-41(52(64)87)17-8-9-25-63)33-72-49(84)31-46(56(91)75-36)80-57(92)45(30-37-13-4-2-5-14-37)76-51(86)35-73-50(85)34-74-54(89)44(29-38-21-23-40(83)24-22-38)71-32-39-15-6-3-7-16-39/h2-7,13-16,21-24,36,41-48,71,83H,8-12,17-20,25-35,63H2,1H3,(H2,64,87)(H,72,84)(H,73,85)(H,74,89)(H,75,91)(H,76,86)(H,77,94)(H,78,88)(H,79,93)(H,80,92)(H,81,90)(H4,65,66,69)(H4,67,68,70)/t36-,41-,42-,43-,44-,45-,46+,47?,48-/s2
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1.15E+4n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM224024
PNG
(BDBM50241435 | Dynorphin A (1-13) | YGGFLRRXRPKLK)
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](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#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](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
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n/an/an/an/a 40n/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at kappa-opioid receptor (unknown origin) after 90 mins by [35S]GTPgammaS binding assay


J Med Chem 58: 8783-95 (2015)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%