Found 15 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50121933
(Ac-Phe-Phe-Phe-Arg-Leu-Arg-Arg-D-Ala-Arg-Pro-Lys-N...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)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/C73H115N25O12/c1-43(2)39-54(95-63(104)52(30-18-36-86-72(80)81)93-66(107)56(41-47-23-10-6-11-24-47)97-67(108)57(42-48-25-12-7-13-26-48)96-65(106)55(89-45(4)99)40-46-21-8-5-9-22-46)64(105)92-51(29-17-35-85-71(78)79)62(103)91-50(28-16-34-84-70(76)77)61(102)88-44(3)60(101)94-53(31-19-37-87-73(82)83)69(110)98-38-20-32-58(98)68(109)90-49(59(75)100)27-14-15-33-74/h5-13,21-26,43-44,49-58H,14-20,27-42,74H2,1-4H3,(H2,75,100)(H,88,102)(H,89,99)(H,90,109)(H,91,103)(H,92,105)(H,93,107)(H,94,101)(H,95,104)(H,96,106)(H,97,108)(H4,76,77,84)(H4,78,79,85)(H4,80,81,86)(H4,82,83,87)/t44-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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 counting analysis |
Bioorg Med Chem 26: 1157-1161 (2018)
Article DOI: 10.1016/j.bmc.2017.11.029
BindingDB Entry DOI: 10.7270/Q28S4SGB |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50454178
(CHEMBL4214138)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](CCCNC(N)=N)NC(=O)[C@@H]1Cc2ccc(OC\C=C\COc3ccc(C[C@H](NC(=O)[C@H](Cc4ccccc4)NC(C)=O)C(=O)N1)cc3)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r,t:57| Show InChI InChI=1S/C80H125N25O14/c1-6-48(4)65(75(116)100-59(25-17-39-94-80(89)90)76(117)105-40-18-26-64(105)74(115)96-55(66(82)107)21-10-11-35-81)104-69(110)58(24-16-38-93-79(87)88)97-67(108)56(22-14-36-91-77(83)84)98-70(111)60(43-47(2)3)101-68(109)57(23-15-37-92-78(85)86)99-72(113)62-45-51-27-31-53(32-28-51)118-41-12-13-42-119-54-33-29-52(30-34-54)46-63(73(114)103-62)102-71(112)61(95-49(5)106)44-50-19-8-7-9-20-50/h7-9,12-13,19-20,27-34,47-48,55-65H,6,10-11,14-18,21-26,35-46,81H2,1-5H3,(H2,82,107)(H,95,106)(H,96,115)(H,97,108)(H,98,111)(H,99,113)(H,100,116)(H,101,109)(H,102,112)(H,103,114)(H,104,110)(H4,83,84,91)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/b13-12+/t48-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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 counting analysis |
Bioorg Med Chem 26: 1157-1161 (2018)
Article DOI: 10.1016/j.bmc.2017.11.029
BindingDB Entry DOI: 10.7270/Q28S4SGB |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50454176
(CHEMBL4217438)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](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(OCC=C)cc1)NC(=O)[C@H](Cc1ccccc1)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=1S/C79H125N25O13/c1-7-42-117-53-34-32-52(33-35-53)46-62(101-70(111)60(94-49(6)105)44-50-22-11-9-12-23-50)72(113)102-61(45-51-24-13-10-14-25-51)71(112)98-56(28-18-38-91-77(84)85)67(108)100-59(43-47(3)4)69(110)97-55(27-17-37-90-76(82)83)66(107)96-57(29-19-39-92-78(86)87)68(109)103-64(48(5)8-2)74(115)99-58(30-20-40-93-79(88)89)75(116)104-41-21-31-63(104)73(114)95-54(65(81)106)26-15-16-36-80/h7,9-14,22-25,32-35,47-48,54-64H,1,8,15-21,26-31,36-46,80H2,2-6H3,(H2,81,106)(H,94,105)(H,95,114)(H,96,107)(H,97,110)(H,98,112)(H,99,115)(H,100,108)(H,101,111)(H,102,113)(H,103,109)(H4,82,83,90)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t48-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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 counting analysis |
Bioorg Med Chem 26: 1157-1161 (2018)
Article DOI: 10.1016/j.bmc.2017.11.029
BindingDB Entry DOI: 10.7270/Q28S4SGB |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50454179
(CHEMBL4217592)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](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccc(OC\C=C\COc3ccc(C[C@H](NC(C)=O)C(=O)N1)cc3)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r,t:69| Show InChI InChI=1S/C80H125N25O14/c1-6-48(4)65(75(116)100-59(25-17-39-94-80(89)90)76(117)105-40-18-26-64(105)74(115)96-55(66(82)107)21-10-11-35-81)104-69(110)58(24-16-38-93-79(87)88)97-67(108)56(22-14-36-91-77(83)84)98-70(111)60(43-47(2)3)101-68(109)57(23-15-37-92-78(85)86)99-72(113)62(44-50-19-8-7-9-20-50)103-73(114)63-46-52-29-33-54(34-30-52)119-42-13-12-41-118-53-31-27-51(28-32-53)45-61(71(112)102-63)95-49(5)106/h7-9,12-13,19-20,27-34,47-48,55-65H,6,10-11,14-18,21-26,35-46,81H2,1-5H3,(H2,82,107)(H,95,106)(H,96,115)(H,97,108)(H,98,111)(H,99,113)(H,100,116)(H,101,109)(H,102,112)(H,103,114)(H,104,110)(H4,83,84,91)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/b13-12+/t48-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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 counting analysis |
Bioorg Med Chem 26: 1157-1161 (2018)
Article DOI: 10.1016/j.bmc.2017.11.029
BindingDB Entry DOI: 10.7270/Q28S4SGB |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50454181
(CHEMBL4206658)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](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(OCC=C)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCCC1C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C79H125N25O13/c1-7-42-117-53-34-32-52(33-35-53)46-60(94-49(6)105)70(111)101-62(45-51-24-13-10-14-25-51)72(113)102-61(44-50-22-11-9-12-23-50)71(112)98-56(28-18-38-91-77(84)85)67(108)100-59(43-47(3)4)69(110)97-55(27-17-37-90-76(82)83)66(107)96-57(29-19-39-92-78(86)87)68(109)103-64(48(5)8-2)74(115)99-58(30-20-40-93-79(88)89)75(116)104-41-21-31-63(104)73(114)95-54(65(81)106)26-15-16-36-80/h7,9-14,22-25,32-35,47-48,54-64H,1,8,15-21,26-31,36-46,80H2,2-6H3,(H2,81,106)(H,94,105)(H,95,114)(H,96,107)(H,97,110)(H,98,112)(H,99,115)(H,100,108)(H,101,111)(H,102,113)(H,103,109)(H4,82,83,90)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t48-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63?,64-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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 counting analysis |
Bioorg Med Chem 26: 1157-1161 (2018)
Article DOI: 10.1016/j.bmc.2017.11.029
BindingDB Entry DOI: 10.7270/Q28S4SGB |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50454177
(CHEMBL4204599)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](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(OCC=C)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)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=1S/C79H125N25O13/c1-7-42-117-53-34-32-52(33-35-53)46-62(102-72(113)61(45-51-24-13-10-14-25-51)101-70(111)60(94-49(6)105)44-50-22-11-9-12-23-50)71(112)98-56(28-18-38-91-77(84)85)67(108)100-59(43-47(3)4)69(110)97-55(27-17-37-90-76(82)83)66(107)96-57(29-19-39-92-78(86)87)68(109)103-64(48(5)8-2)74(115)99-58(30-20-40-93-79(88)89)75(116)104-41-21-31-63(104)73(114)95-54(65(81)106)26-15-16-36-80/h7,9-14,22-25,32-35,47-48,54-64H,1,8,15-21,26-31,36-46,80H2,2-6H3,(H2,81,106)(H,94,105)(H,95,114)(H,96,107)(H,97,110)(H,98,112)(H,99,115)(H,100,108)(H,101,111)(H,102,113)(H,103,109)(H4,82,83,90)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t48-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 134 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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 counting analysis |
Bioorg Med Chem 26: 1157-1161 (2018)
Article DOI: 10.1016/j.bmc.2017.11.029
BindingDB Entry DOI: 10.7270/Q28S4SGB |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50454180
(CHEMBL4202742)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1C\C=C\COc2ccc(C[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r,t:21| Show InChI InChI=1S/C70H105N21O12/c1-4-42(2)57(66(101)87-52(27-17-36-81-70(77)78)67(102)91-37-18-28-56(91)65(100)83-48(58(72)93)23-11-13-33-71)90-61(96)51(26-16-35-80-69(75)76)85-59(94)49-24-12-14-38-103-47-31-29-46(30-32-47)41-55(63(98)86-50(60(95)84-49)25-15-34-79-68(73)74)89-64(99)54(40-45-21-9-6-10-22-45)88-62(97)53(82-43(3)92)39-44-19-7-5-8-20-44/h5-10,12,14,19-22,29-32,42,48-57H,4,11,13,15-18,23-28,33-41,71H2,1-3H3,(H2,72,93)(H,82,92)(H,83,100)(H,84,95)(H,85,94)(H,86,98)(H,87,101)(H,88,97)(H,89,99)(H,90,96)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/b14-12+/t42-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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 counting analysis |
Bioorg Med Chem 26: 1157-1161 (2018)
Article DOI: 10.1016/j.bmc.2017.11.029
BindingDB Entry DOI: 10.7270/Q28S4SGB |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50454178
(CHEMBL4214138)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](CCCNC(N)=N)NC(=O)[C@@H]1Cc2ccc(OC\C=C\COc3ccc(C[C@H](NC(=O)[C@H](Cc4ccccc4)NC(C)=O)C(=O)N1)cc3)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r,t:57| Show InChI InChI=1S/C80H125N25O14/c1-6-48(4)65(75(116)100-59(25-17-39-94-80(89)90)76(117)105-40-18-26-64(105)74(115)96-55(66(82)107)21-10-11-35-81)104-69(110)58(24-16-38-93-79(87)88)97-67(108)56(22-14-36-91-77(83)84)98-70(111)60(43-47(2)3)101-68(109)57(23-15-37-92-78(85)86)99-72(113)62-45-51-27-31-53(32-28-51)118-41-12-13-42-119-54-33-29-52(30-34-54)46-63(73(114)103-62)102-71(112)61(95-49(5)106)44-50-19-8-7-9-20-50/h7-9,12-13,19-20,27-34,47-48,55-65H,6,10-11,14-18,21-26,35-46,81H2,1-5H3,(H2,82,107)(H,95,106)(H,96,115)(H,97,108)(H,98,111)(H,99,113)(H,100,116)(H,101,109)(H,102,112)(H,103,114)(H,104,110)(H4,83,84,91)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/b13-12+/t48-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 903 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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 counting analysis |
Bioorg Med Chem 26: 1157-1161 (2018)
Article DOI: 10.1016/j.bmc.2017.11.029
BindingDB Entry DOI: 10.7270/Q28S4SGB |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50454181
(CHEMBL4206658)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](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(OCC=C)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCCC1C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C79H125N25O13/c1-7-42-117-53-34-32-52(33-35-53)46-60(94-49(6)105)70(111)101-62(45-51-24-13-10-14-25-51)72(113)102-61(44-50-22-11-9-12-23-50)71(112)98-56(28-18-38-91-77(84)85)67(108)100-59(43-47(3)4)69(110)97-55(27-17-37-90-76(82)83)66(107)96-57(29-19-39-92-78(86)87)68(109)103-64(48(5)8-2)74(115)99-58(30-20-40-93-79(88)89)75(116)104-41-21-31-63(104)73(114)95-54(65(81)106)26-15-16-36-80/h7,9-14,22-25,32-35,47-48,54-64H,1,8,15-21,26-31,36-46,80H2,2-6H3,(H2,81,106)(H,94,105)(H,95,114)(H,96,107)(H,97,110)(H,98,112)(H,99,115)(H,100,108)(H,101,111)(H,102,113)(H,103,109)(H4,82,83,90)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t48-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63?,64-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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 counting analysis |
Bioorg Med Chem 26: 1157-1161 (2018)
Article DOI: 10.1016/j.bmc.2017.11.029
BindingDB Entry DOI: 10.7270/Q28S4SGB |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50454177
(CHEMBL4204599)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](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(OCC=C)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)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=1S/C79H125N25O13/c1-7-42-117-53-34-32-52(33-35-53)46-62(102-72(113)61(45-51-24-13-10-14-25-51)101-70(111)60(94-49(6)105)44-50-22-11-9-12-23-50)71(112)98-56(28-18-38-91-77(84)85)67(108)100-59(43-47(3)4)69(110)97-55(27-17-37-90-76(82)83)66(107)96-57(29-19-39-92-78(86)87)68(109)103-64(48(5)8-2)74(115)99-58(30-20-40-93-79(88)89)75(116)104-41-21-31-63(104)73(114)95-54(65(81)106)26-15-16-36-80/h7,9-14,22-25,32-35,47-48,54-64H,1,8,15-21,26-31,36-46,80H2,2-6H3,(H2,81,106)(H,94,105)(H,95,114)(H,96,107)(H,97,110)(H,98,112)(H,99,115)(H,100,108)(H,101,111)(H,102,113)(H,103,109)(H4,82,83,90)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t48-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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 counting analysis |
Bioorg Med Chem 26: 1157-1161 (2018)
Article DOI: 10.1016/j.bmc.2017.11.029
BindingDB Entry DOI: 10.7270/Q28S4SGB |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50454176
(CHEMBL4217438)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](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(OCC=C)cc1)NC(=O)[C@H](Cc1ccccc1)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=1S/C79H125N25O13/c1-7-42-117-53-34-32-52(33-35-53)46-62(101-70(111)60(94-49(6)105)44-50-22-11-9-12-23-50)72(113)102-61(45-51-24-13-10-14-25-51)71(112)98-56(28-18-38-91-77(84)85)67(108)100-59(43-47(3)4)69(110)97-55(27-17-37-90-76(82)83)66(107)96-57(29-19-39-92-78(86)87)68(109)103-64(48(5)8-2)74(115)99-58(30-20-40-93-79(88)89)75(116)104-41-21-31-63(104)73(114)95-54(65(81)106)26-15-16-36-80/h7,9-14,22-25,32-35,47-48,54-64H,1,8,15-21,26-31,36-46,80H2,2-6H3,(H2,81,106)(H,94,105)(H,95,114)(H,96,107)(H,97,110)(H,98,112)(H,99,115)(H,100,108)(H,101,111)(H,102,113)(H,103,109)(H4,82,83,90)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t48-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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 counting analysis |
Bioorg Med Chem 26: 1157-1161 (2018)
Article DOI: 10.1016/j.bmc.2017.11.029
BindingDB Entry DOI: 10.7270/Q28S4SGB |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50121933
(Ac-Phe-Phe-Phe-Arg-Leu-Arg-Arg-D-Ala-Arg-Pro-Lys-N...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)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/C73H115N25O12/c1-43(2)39-54(95-63(104)52(30-18-36-86-72(80)81)93-66(107)56(41-47-23-10-6-11-24-47)97-67(108)57(42-48-25-12-7-13-26-48)96-65(106)55(89-45(4)99)40-46-21-8-5-9-22-46)64(105)92-51(29-17-35-85-71(78)79)62(103)91-50(28-16-34-84-70(76)77)61(102)88-44(3)60(101)94-53(31-19-37-87-73(82)83)69(110)98-38-20-32-58(98)68(109)90-49(59(75)100)27-14-15-33-74/h5-13,21-26,43-44,49-58H,14-20,27-42,74H2,1-4H3,(H2,75,100)(H,88,102)(H,89,99)(H,90,109)(H,91,103)(H,92,105)(H,93,107)(H,94,101)(H,95,104)(H,96,106)(H,97,108)(H4,76,77,84)(H4,78,79,85)(H4,80,81,86)(H4,82,83,87)/t44-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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 counting analysis |
Bioorg Med Chem 26: 1157-1161 (2018)
Article DOI: 10.1016/j.bmc.2017.11.029
BindingDB Entry DOI: 10.7270/Q28S4SGB |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50454179
(CHEMBL4217592)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](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccc(OC\C=C\COc3ccc(C[C@H](NC(C)=O)C(=O)N1)cc3)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r,t:69| Show InChI InChI=1S/C80H125N25O14/c1-6-48(4)65(75(116)100-59(25-17-39-94-80(89)90)76(117)105-40-18-26-64(105)74(115)96-55(66(82)107)21-10-11-35-81)104-69(110)58(24-16-38-93-79(87)88)97-67(108)56(22-14-36-91-77(83)84)98-70(111)60(43-47(2)3)101-68(109)57(23-15-37-92-78(85)86)99-72(113)62(44-50-19-8-7-9-20-50)103-73(114)63-46-52-29-33-54(34-30-52)119-42-13-12-41-118-53-31-27-51(28-32-53)45-61(71(112)102-63)95-49(5)106/h7-9,12-13,19-20,27-34,47-48,55-65H,6,10-11,14-18,21-26,35-46,81H2,1-5H3,(H2,82,107)(H,95,106)(H,96,115)(H,97,108)(H,98,111)(H,99,113)(H,100,116)(H,101,109)(H,102,112)(H,103,114)(H,104,110)(H4,83,84,91)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/b13-12+/t48-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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 counting analysis |
Bioorg Med Chem 26: 1157-1161 (2018)
Article DOI: 10.1016/j.bmc.2017.11.029
BindingDB Entry DOI: 10.7270/Q28S4SGB |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50454180
(CHEMBL4202742)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1C\C=C\COc2ccc(C[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r,t:21| Show InChI InChI=1S/C70H105N21O12/c1-4-42(2)57(66(101)87-52(27-17-36-81-70(77)78)67(102)91-37-18-28-56(91)65(100)83-48(58(72)93)23-11-13-33-71)90-61(96)51(26-16-35-80-69(75)76)85-59(94)49-24-12-14-38-103-47-31-29-46(30-32-47)41-55(63(98)86-50(60(95)84-49)25-15-34-79-68(73)74)89-64(99)54(40-45-21-9-6-10-22-45)88-62(97)53(82-43(3)92)39-44-19-7-5-8-20-44/h5-10,12,14,19-22,29-32,42,48-57H,4,11,13,15-18,23-28,33-41,71H2,1-3H3,(H2,72,93)(H,82,92)(H,83,100)(H,84,95)(H,85,94)(H,86,98)(H,87,101)(H,88,97)(H,89,99)(H,90,96)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/b14-12+/t42-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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 counting analysis |
Bioorg Med Chem 26: 1157-1161 (2018)
Article DOI: 10.1016/j.bmc.2017.11.029
BindingDB Entry DOI: 10.7270/Q28S4SGB |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50121933
(Ac-Phe-Phe-Phe-Arg-Leu-Arg-Arg-D-Ala-Arg-Pro-Lys-N...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)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/C73H115N25O12/c1-43(2)39-54(95-63(104)52(30-18-36-86-72(80)81)93-66(107)56(41-47-23-10-6-11-24-47)97-67(108)57(42-48-25-12-7-13-26-48)96-65(106)55(89-45(4)99)40-46-21-8-5-9-22-46)64(105)92-51(29-17-35-85-71(78)79)62(103)91-50(28-16-34-84-70(76)77)61(102)88-44(3)60(101)94-53(31-19-37-87-73(82)83)69(110)98-38-20-32-58(98)68(109)90-49(59(75)100)27-14-15-33-74/h5-13,21-26,43-44,49-58H,14-20,27-42,74H2,1-4H3,(H2,75,100)(H,88,102)(H,89,99)(H,90,109)(H,91,103)(H,92,105)(H,93,107)(H,94,101)(H,95,104)(H,96,106)(H,97,108)(H4,76,77,84)(H4,78,79,85)(H4,80,81,86)(H4,82,83,87)/t44-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from rat delta opioid receptor expressed in CHO cells after 90 mins by scintillation counting analysis |
Bioorg Med Chem 26: 1157-1161 (2018)
Article DOI: 10.1016/j.bmc.2017.11.029
BindingDB Entry DOI: 10.7270/Q28S4SGB |
More data for this
Ligand-Target Pair | |
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