Found 427 hits with Last Name = 'rankin' and Initial = 'd' 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 |
|---|
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50122099
(CHEMBL3617471)Show SMILES CCC(=O)N(C1CCN(Cc2cccc3[C@@H](CCCc23)NC(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1)c1ccccc1 |r| Show InChI InChI=1S/C53H68N8O7/c1-5-50(65)61(39-17-10-7-11-18-39)40-23-26-60(27-24-40)33-38-16-12-20-43-42(38)19-13-21-46(43)58-48(63)22-25-55-53(68)47(30-37-14-8-6-9-15-37)59-49(64)32-56-51(66)36(4)57-52(67)45(54)31-44-34(2)28-41(62)29-35(44)3/h6-12,14-18,20,28-29,36,40,45-47,62H,5,13,19,21-27,30-33,54H2,1-4H3,(H,55,68)(H,56,66)(H,57,67)(H,58,63)(H,59,64)/t36-,45+,46-,47+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H] DAMGO from rat mu-opioid receptor |
Bioorg Med Chem Lett 25: 4683-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50586821
(CHEMBL5089012)Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1cc(C)c(O)c(C)c1)c1ccc(Cl)c(Cl)c1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in mouse HN9.10 cells assessed as inhibition constant by radioligand binding a... |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116509
BindingDB Entry DOI: 10.7270/Q2FX7FCX |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50121680
(CHEMBL3616943)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(NC(=O)C(Cc1cccs1)NC(=O)CNC(=O)C1CC(O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](N)CCCNC(N)=N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C82H116N24O17S/c1-45(97-70(113)55(84)34-47-25-27-51(107)28-26-47)68(111)95-41-66(109)98-58(35-46-14-3-2-4-15-46)71(114)94-40-60(76(119)104-43-50-18-6-5-16-48(50)36-65(104)78(121)106-61-23-8-7-17-49(61)37-64(106)74(117)101-57(79(122)123)22-11-31-93-82(89)90)102-72(115)59(39-53-19-13-33-124-53)99-67(110)42-96-73(116)63-38-52(108)44-105(63)77(120)62-24-12-32-103(62)75(118)56(21-10-30-92-81(87)88)100-69(112)54(83)20-9-29-91-80(85)86/h2-6,13-16,18-19,25-28,33,45,49,52,54-65,107-108H,7-12,17,20-24,29-32,34-44,83-84H2,1H3,(H,94,114)(H,95,111)(H,96,116)(H,97,113)(H,98,109)(H,99,110)(H,100,112)(H,101,117)(H,102,115)(H,122,123)(H4,85,86,91)(H4,87,88,92)(H4,89,90,93)/t45-,49?,52?,54-,55+,56+,57+,58+,59?,60?,61?,62+,63?,64?,65-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50500612
(CHEMBL3754081)Show SMILES CCC(=O)N(CC1CCCCN1[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C40H51N5O7/c1-5-37(48)45(30-16-10-7-11-17-30)25-31-18-12-13-19-44(31)35(22-29-14-8-6-9-15-29)39(50)41-24-36(47)42-28(4)38(49)43-34(40(51)52)23-33-26(2)20-32(46)21-27(33)3/h6-11,14-17,20-21,28,31,34-35,46H,5,12-13,18-19,22-25H2,1-4H3,(H,41,50)(H,42,47)(H,43,49)(H,51,52)/t28-,31?,34+,35+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor after 180 mins by scintillation counting analysis |
Bioorg Med Chem Lett 26: 222-7 (2016)
Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50121682
(CHEMBL3616886)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCCCC(=O)NCC(N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C93H136N26O20S/c1-53(109-79(127)62(94)41-55-31-33-59(121)34-32-55)78(126)107-48-76(124)110-67(42-54-19-6-5-7-20-54)81(129)102-35-13-4-2-3-8-30-75(123)106-47-63(95)80(128)112-64(25-14-36-103-91(96)97)82(130)113-65(26-15-37-104-92(98)99)86(134)116-39-17-29-71(116)88(136)118-51-60(122)45-72(118)84(132)108-49-77(125)111-68(46-61-24-18-40-140-61)83(131)115-69(52-120)87(135)117-50-58-23-10-9-21-56(58)43-74(117)89(137)119-70-28-12-11-22-57(70)44-73(119)85(133)114-66(90(138)139)27-16-38-105-93(100)101/h5-7,9-10,18-21,23-24,31-34,40,53,57,60,62-74,120-122H,2-4,8,11-17,22,25-30,35-39,41-52,94-95H2,1H3,(H,102,129)(H,106,123)(H,107,126)(H,108,132)(H,109,127)(H,110,124)(H,111,125)(H,112,128)(H,113,130)(H,114,133)(H,115,131)(H,138,139)(H4,96,97,103)(H4,98,99,104)(H4,100,101,105)/t53-,57?,60?,62+,63?,64-,65+,66+,67+,68?,69+,70?,71+,72?,73?,74-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50586821
(CHEMBL5089012)Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1cc(C)c(O)c(C)c1)c1ccc(Cl)c(Cl)c1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-DPDPE from human delta opioid receptor expressed in mouse HN9.10 cells assessed as inhibition constant by radioligand binding as... |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116509
BindingDB Entry DOI: 10.7270/Q2FX7FCX |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50500608
(CHEMBL3753711)Show SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2[C@@H](CCCc2c1)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C54H69N7O8/c1-5-51(65)61(41-18-10-7-11-19-41)34-42-20-12-13-26-60(42)33-39-22-23-44-40(29-39)17-14-21-46(44)55-25-24-49(63)58-47(30-38-15-8-6-9-16-38)53(67)56-32-50(64)57-37(4)52(66)59-48(54(68)69)31-45-35(2)27-43(62)28-36(45)3/h6-11,15-16,18-19,22-23,27-29,37,42,46-48,55,62H,5,12-14,17,20-21,24-26,30-34H2,1-4H3,(H,56,67)(H,57,64)(H,58,63)(H,59,66)(H,68,69)/t37-,42?,46-,47+,48+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor after 180 mins by scintillation counting analysis |
Bioorg Med Chem Lett 26: 222-7 (2016)
Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50499070
(CHEMBL4299415)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C57H66F7N9O8/c1-30(2)18-45(53(79)70-46(24-36-28-66-44-11-8-7-10-41(36)44)52(78)67-27-35-21-37(56(59,60)61)25-38(22-35)57(62,63)64)71-54(80)47-12-9-17-73(47)55(81)48(23-34-13-15-39(58)16-14-34)72(6)49(75)29-68-50(76)33(5)69-51(77)43(65)26-42-31(3)19-40(74)20-32(42)4/h7-8,10-11,13-16,19-22,25,28,30,33,43,45-48,66,74H,9,12,17-18,23-24,26-27,29,65H2,1-6H3,(H,67,78)(H,68,76)(H,69,77)(H,70,79)(H,71,80)/t33-,43-,45-,46-,47-,48-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to mu opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Cavia porcellus) | BDBM50121684
(CHEMBL3616944)Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33?,35?,37-,38+,39+,40?,41+,42?,43+,44?,45?,46-/m1/s1 | MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]BK from B2R in guinea pig ileum membranes by liquid scintillation counting in based radioligand competition assay |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50121660
(CHEMBL3616883)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCCCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C90H130N24O19S/c1-52(104-77(122)61(91)41-54-31-33-58(116)34-32-54)76(121)102-47-74(119)106-65(42-53-19-6-5-7-20-53)78(123)98-35-13-4-2-3-8-30-73(118)105-62(25-14-36-99-88(92)93)79(124)108-63(26-15-37-100-89(94)95)83(128)111-39-17-29-69(111)85(130)113-50-59(117)45-70(113)81(126)103-48-75(120)107-66(46-60-24-18-40-134-60)80(125)110-67(51-115)84(129)112-49-57-23-10-9-21-55(57)43-72(112)86(131)114-68-28-12-11-22-56(68)44-71(114)82(127)109-64(87(132)133)27-16-38-101-90(96)97/h5-7,9-10,18-21,23-24,31-34,40,52,56,59,61-72,115-117H,2-4,8,11-17,22,25-30,35-39,41-51,91H2,1H3,(H,98,123)(H,102,121)(H,103,126)(H,104,122)(H,105,118)(H,106,119)(H,107,120)(H,108,124)(H,109,127)(H,110,125)(H,132,133)(H4,92,93,99)(H4,94,95,100)(H4,96,97,101)/t52-,56?,59?,61+,62-,63+,64+,65+,66?,67+,68?,69+,70?,71?,72-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50122099
(CHEMBL3617471)Show SMILES CCC(=O)N(C1CCN(Cc2cccc3[C@@H](CCCc23)NC(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1)c1ccccc1 |r| Show InChI InChI=1S/C53H68N8O7/c1-5-50(65)61(39-17-10-7-11-18-39)40-23-26-60(27-24-40)33-38-16-12-20-43-42(38)19-13-21-46(43)58-48(63)22-25-55-53(68)47(30-37-14-8-6-9-15-37)59-49(64)32-56-51(66)36(4)57-52(67)45(54)31-44-34(2)28-41(62)29-35(44)3/h6-12,14-18,20,28-29,36,40,45-47,62H,5,13,19,21-27,30-33,54H2,1-4H3,(H,55,68)(H,56,66)(H,57,67)(H,58,63)(H,59,64)/t36-,45+,46-,47+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H] DAMGO from human delta opioid receptor |
Bioorg Med Chem Lett 25: 4683-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50121683
(CHEMBL3616885)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)C(=O)NCCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C88H126N26O20S/c1-48(104-75(123)57(89)36-50-25-27-54(116)28-26-50)73(121)102-43-71(119)106-62(37-49-14-3-2-4-15-49)76(124)101-42-58(90)74(122)97-33-29-70(118)105-59(20-9-30-98-86(91)92)77(125)108-60(21-10-31-99-87(93)94)81(129)111-34-12-24-66(111)83(131)113-46-55(117)40-67(113)79(127)103-44-72(120)107-63(41-56-19-13-35-135-56)78(126)110-64(47-115)82(130)112-45-53-18-6-5-16-51(53)38-69(112)84(132)114-65-23-8-7-17-52(65)39-68(114)80(128)109-61(85(133)134)22-11-32-100-88(95)96/h2-6,13-16,18-19,25-28,35,48,52,55,57-69,115-117H,7-12,17,20-24,29-34,36-47,89-90H2,1H3,(H,97,122)(H,101,124)(H,102,121)(H,103,127)(H,104,123)(H,105,118)(H,106,119)(H,107,120)(H,108,125)(H,109,128)(H,110,126)(H,133,134)(H4,91,92,98)(H4,93,94,99)(H4,95,96,100)/t48-,52?,55?,57+,58?,59-,60+,61+,62+,63?,64+,65?,66+,67?,68?,69-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50586820
(CHEMBL5094499)Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1cc(C)c(O)c(C)c1)c1ccc(Cl)c(Cl)c1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in mouse HN9.10 cells assessed as inhibition constant by radioligand binding a... |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116509
BindingDB Entry DOI: 10.7270/Q2FX7FCX |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50586820
(CHEMBL5094499)Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1cc(C)c(O)c(C)c1)c1ccc(Cl)c(Cl)c1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-DPDPE from human delta opioid receptor expressed in mouse HN9.10 cells assessed as inhibition constant by radioligand binding as... |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116509
BindingDB Entry DOI: 10.7270/Q2FX7FCX |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50586817
(CHEMBL5091642)Show SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccc(Cl)c(Cl)c1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-DPDPE from human delta opioid receptor expressed in mouse HN9.10 cells assessed as inhibition constant by radioligand binding as... |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116509
BindingDB Entry DOI: 10.7270/Q2FX7FCX |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50586819
(CHEMBL5086370)Show SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccc(Cl)c(Cl)c1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-DPDPE from human delta opioid receptor expressed in mouse HN9.10 cells assessed as inhibition constant by radioligand binding as... |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116509
BindingDB Entry DOI: 10.7270/Q2FX7FCX |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM21012
((2S)-2-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C54H61F6N9O8/c1-30(2)20-42(50(75)67-43(25-35-28-62-41-13-8-7-12-39(35)41)49(74)63-27-34-21-36(53(55,56)57)26-37(22-34)54(58,59)60)68-51(76)45-14-9-19-69(45)52(77)44(24-32-10-5-4-6-11-32)66-46(71)29-64-47(72)31(3)65-48(73)40(61)23-33-15-17-38(70)18-16-33/h4-8,10-13,15-18,21-22,26,28,30-31,40,42-45,62,70H,9,14,19-20,23-25,27,29,61H2,1-3H3,(H,63,74)(H,64,72)(H,65,73)(H,66,71)(H,67,75)(H,68,76)/t31-,40+,42+,43+,44+,45+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from recombinant human neurokinin-1 receptor expressed in CHO cells incubated for 20 mins by liquid scintillation counting |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50500605
(CHEMBL3752798)Show SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2[C@@H](CCCc2c1)N(CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C82H103N11O15/c1-8-76(100)93(60-26-16-11-17-27-60)49-61-28-18-19-34-92(61)48-58-30-31-64-59(41-58)25-20-29-71(64)91(35-32-72(96)87-67(42-56-21-12-9-13-22-56)79(103)83-46-74(98)85-54(6)77(101)89-69(81(105)106)44-65-50(2)37-62(94)38-51(65)3)36-33-73(97)88-68(43-57-23-14-10-15-24-57)80(104)84-47-75(99)86-55(7)78(102)90-70(82(107)108)45-66-52(4)39-63(95)40-53(66)5/h9-17,21-24,26-27,30-31,37-41,54-55,61,67-71,94-95H,8,18-20,25,28-29,32-36,42-49H2,1-7H3,(H,83,103)(H,84,104)(H,85,98)(H,86,99)(H,87,96)(H,88,97)(H,89,101)(H,90,102)(H,105,106)(H,107,108)/t54-,55-,61?,67+,68+,69+,70+,71-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu-opioid receptor in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis |
Bioorg Med Chem Lett 26: 222-7 (2016)
Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50500605
(CHEMBL3752798)Show SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2[C@@H](CCCc2c1)N(CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C82H103N11O15/c1-8-76(100)93(60-26-16-11-17-27-60)49-61-28-18-19-34-92(61)48-58-30-31-64-59(41-58)25-20-29-71(64)91(35-32-72(96)87-67(42-56-21-12-9-13-22-56)79(103)83-46-74(98)85-54(6)77(101)89-69(81(105)106)44-65-50(2)37-62(94)38-51(65)3)36-33-73(97)88-68(43-57-23-14-10-15-24-57)80(104)84-47-75(99)86-55(7)78(102)90-70(82(107)108)45-66-52(4)39-63(95)40-53(66)5/h9-17,21-24,26-27,30-31,37-41,54-55,61,67-71,94-95H,8,18-20,25,28-29,32-36,42-49H2,1-7H3,(H,83,103)(H,84,104)(H,85,98)(H,86,99)(H,87,96)(H,88,97)(H,89,101)(H,90,102)(H,105,106)(H,107,108)/t54-,55-,61?,67+,68+,69+,70+,71-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor after 180 mins by scintillation counting analysis |
Bioorg Med Chem Lett 26: 222-7 (2016)
Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50121659
(CHEMBL3616884)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C85H121N25O19S/c1-46(100-71(117)55(86)34-48-25-27-52(112)28-26-48)70(116)98-41-68(114)101-60(35-47-14-3-2-4-15-47)73(119)97-40-56(87)72(118)103-57(20-9-29-94-83(88)89)74(120)104-58(21-10-30-95-84(90)91)78(124)107-32-12-24-64(107)80(126)109-44-53(113)38-65(109)76(122)99-42-69(115)102-61(39-54-19-13-33-130-54)75(121)106-62(45-111)79(125)108-43-51-18-6-5-16-49(51)36-67(108)81(127)110-63-23-8-7-17-50(63)37-66(110)77(123)105-59(82(128)129)22-11-31-96-85(92)93/h2-6,13-16,18-19,25-28,33,46,50,53,55-67,111-113H,7-12,17,20-24,29-32,34-45,86-87H2,1H3,(H,97,119)(H,98,116)(H,99,122)(H,100,117)(H,101,114)(H,102,115)(H,103,118)(H,104,120)(H,105,123)(H,106,121)(H,128,129)(H4,88,89,94)(H4,90,91,95)(H4,92,93,96)/t46-,50?,53?,55+,56?,57-,58+,59+,60+,61?,62+,63?,64+,65?,66?,67-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50500608
(CHEMBL3753711)Show SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2[C@@H](CCCc2c1)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C54H69N7O8/c1-5-51(65)61(41-18-10-7-11-19-41)34-42-20-12-13-26-60(42)33-39-22-23-44-40(29-39)17-14-21-46(44)55-25-24-49(63)58-47(30-38-15-8-6-9-16-38)53(67)56-32-50(64)57-37(4)52(66)59-48(54(68)69)31-45-35(2)27-43(62)28-36(45)3/h6-11,15-16,18-19,22-23,27-29,37,42,46-48,55,62H,5,12-14,17,20-21,24-26,30-34H2,1-4H3,(H,56,67)(H,57,64)(H,58,63)(H,59,66)(H,68,69)/t37-,42?,46-,47+,48+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu-opioid receptor in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis |
Bioorg Med Chem Lett 26: 222-7 (2016)
Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50428089
(CHEMBL2323577)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@H](CC(N)=O)Cc1ccccc1)Cc1ccccc1 |r| Show InChI InChI=1S/C48H59N9O10/c1-29(53-47(66)39(49)23-33-13-17-37(58)18-14-33)45(64)51-28-44(63)56-36(22-32-11-7-4-8-12-32)26-42(61)57-40(24-34-15-19-38(59)20-16-34)48(67)54-30(2)46(65)52-27-43(62)55-35(25-41(50)60)21-31-9-5-3-6-10-31/h3-20,29-30,35-36,39-40,58-59H,21-28,49H2,1-2H3,(H2,50,60)(H,51,64)(H,52,65)(H,53,66)(H,54,67)(H,55,62)(H,56,63)(H,57,61)/t29-,30-,35+,36+,39+,40+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara"G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Displacement of [3H]Deltorphin from DOR in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis |
J Med Chem 56: 3419-23 (2013)
Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50586818
(CHEMBL5078669)Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccc(Cl)c(Cl)c1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-DPDPE from human delta opioid receptor expressed in mouse HN9.10 cells assessed as inhibition constant by radioligand binding as... |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116509
BindingDB Entry DOI: 10.7270/Q2FX7FCX |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50500612
(CHEMBL3754081)Show SMILES CCC(=O)N(CC1CCCCN1[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C40H51N5O7/c1-5-37(48)45(30-16-10-7-11-17-30)25-31-18-12-13-19-44(31)35(22-29-14-8-6-9-15-29)39(50)41-24-36(47)42-28(4)38(49)43-34(40(51)52)23-33-26(2)20-32(46)21-27(33)3/h6-11,14-17,20-21,28,31,34-35,46H,5,12-13,18-19,22-25H2,1-4H3,(H,41,50)(H,42,47)(H,43,49)(H,51,52)/t28-,31?,34+,35+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu-opioid receptor in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis |
Bioorg Med Chem Lett 26: 222-7 (2016)
Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50500609
(CHEMBL3754056)Show SMILES CCC(=O)N(CC1CCCCN1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C43H56N6O8/c1-5-40(53)49(32-16-10-7-11-17-32)27-33-18-12-13-20-48(33)21-19-38(51)46-36(24-31-14-8-6-9-15-31)42(55)44-26-39(52)45-30(4)41(54)47-37(43(56)57)25-35-28(2)22-34(50)23-29(35)3/h6-11,14-17,22-23,30,33,36-37,50H,5,12-13,18-21,24-27H2,1-4H3,(H,44,55)(H,45,52)(H,46,51)(H,47,54)(H,56,57)/t30-,33?,36+,37+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu-opioid receptor in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis |
Bioorg Med Chem Lett 26: 222-7 (2016)
Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50499071
(CHEMBL4299423)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64F7N9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(58,59)60)24-37(21-34)56(61,62)63)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(57)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to mu opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50499069
(CHEMBL4299390)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H65F6N9O8/c1-30(2)18-44(52(77)69-45(24-36-28-64-43-15-10-9-14-40(36)43)51(76)65-27-35-21-37(55(57,58)59)25-38(22-35)56(60,61)62)70-53(78)47-16-11-17-71(47)54(79)46(23-34-12-7-6-8-13-34)68-48(73)29-66-49(74)33(5)67-50(75)42(63)26-41-31(3)19-39(72)20-32(41)4/h6-10,12-15,19-22,25,28,30,33,42,44-47,64,72H,11,16-18,23-24,26-27,29,63H2,1-5H3,(H,65,76)(H,66,74)(H,67,75)(H,68,73)(H,69,77)(H,70,78)/t33-,42-,44-,45-,46-,47-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to delta opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50499071
(CHEMBL4299423)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64F7N9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(58,59)60)24-37(21-34)56(61,62)63)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(57)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from recombinant human neurokinin-1 receptor expressed in CHO cells incubated for 20 mins by liquid scintillation counting |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50500611
(CHEMBL4299482)Show SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2[C@@H](CCCc2c1)N[C@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C49H60N6O7/c1-3-46(58)55(38-16-8-5-9-17-38)32-39-18-10-11-26-54(39)31-36-22-25-41-37(27-36)15-12-19-42(41)52-43(28-34-13-6-4-7-14-34)48(60)50-30-45(57)51-33(2)47(59)53-44(49(61)62)29-35-20-23-40(56)24-21-35/h4-9,13-14,16-17,20-25,27,33,39,42-44,52,56H,3,10-12,15,18-19,26,28-32H2,1-2H3,(H,50,60)(H,51,57)(H,53,59)(H,61,62)/t33-,39?,42-,43-,44+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu-opioid receptor in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis |
Bioorg Med Chem Lett 26: 222-7 (2016)
Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50499066
(CHEMBL4299371)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C57H67F6N9O8/c1-31(2)19-45(53(78)69-46(25-37-29-65-44-16-11-10-15-41(37)44)52(77)66-28-36-22-38(56(58,59)60)26-39(23-36)57(61,62)63)70-54(79)47-17-12-18-72(47)55(80)48(24-35-13-8-7-9-14-35)71(6)49(74)30-67-50(75)34(5)68-51(76)43(64)27-42-32(3)20-40(73)21-33(42)4/h7-11,13-16,20-23,26,29,31,34,43,45-48,65,73H,12,17-19,24-25,27-28,30,64H2,1-6H3,(H,66,77)(H,67,75)(H,68,76)(H,69,78)(H,70,79)/t34-,43-,45-,46-,47-,48-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to mu opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Cavia porcellus) | BDBM50121684
(CHEMBL3616944)Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33?,35?,37-,38+,39+,40?,41+,42?,43+,44?,45?,46-/m1/s1 | MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to B2R in guinea pig ileum membranes |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50122064
(CHEMBL3617470)Show SMILES CCC(=O)N(C1CCN(Cc2cccc3[C@@H](CCCc23)NC(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C51H64N8O7/c1-3-48(63)59(38-15-8-5-9-16-38)39-25-28-58(29-26-39)33-37-14-10-18-42-41(37)17-11-19-44(42)56-46(61)24-27-53-51(66)45(31-35-12-6-4-7-13-35)57-47(62)32-54-49(64)34(2)55-50(65)43(52)30-36-20-22-40(60)23-21-36/h4-10,12-16,18,20-23,34,39,43-45,60H,3,11,17,19,24-33,52H2,1-2H3,(H,53,66)(H,54,64)(H,55,65)(H,56,61)(H,57,62)/t34-,43+,44-,45+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H] DAMGO from rat mu-opioid receptor |
Bioorg Med Chem Lett 25: 4683-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50499071
(CHEMBL4299423)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H64F7N9O8/c1-29(2)17-44(52(78)70-45(23-35-27-65-43-10-7-6-9-40(35)43)51(77)66-26-34-20-36(55(58,59)60)24-37(21-34)56(61,62)63)71-53(79)47-11-8-16-72(47)54(80)46(22-33-12-14-38(57)15-13-33)69-48(74)28-67-49(75)32(5)68-50(76)42(64)25-41-30(3)18-39(73)19-31(41)4/h6-7,9-10,12-15,18-21,24,27,29,32,42,44-47,65,73H,8,11,16-17,22-23,25-26,28,64H2,1-5H3,(H,66,77)(H,67,75)(H,68,76)(H,69,74)(H,70,78)(H,71,79)/t32-,42-,44-,45-,46-,47-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to delta opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50428089
(CHEMBL2323577)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@H](CC(N)=O)Cc1ccccc1)Cc1ccccc1 |r| Show InChI InChI=1S/C48H59N9O10/c1-29(53-47(66)39(49)23-33-13-17-37(58)18-14-33)45(64)51-28-44(63)56-36(22-32-11-7-4-8-12-32)26-42(61)57-40(24-34-15-19-38(59)20-16-34)48(67)54-30(2)46(65)52-27-43(62)55-35(25-41(50)60)21-31-9-5-3-6-10-31/h3-20,29-30,35-36,39-40,58-59H,21-28,49H2,1-2H3,(H2,50,60)(H,51,64)(H,52,65)(H,53,66)(H,54,67)(H,55,62)(H,56,63)(H,57,61)/t29-,30-,35+,36+,39+,40+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara"G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from MOR in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis |
J Med Chem 56: 3419-23 (2013)
Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50586816
(CHEMBL5081245)Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccc(Cl)c(Cl)c1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-DPDPE from human delta opioid receptor expressed in mouse HN9.10 cells assessed as inhibition constant by radioligand binding as... |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116509
BindingDB Entry DOI: 10.7270/Q2FX7FCX |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50500609
(CHEMBL3754056)Show SMILES CCC(=O)N(CC1CCCCN1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C43H56N6O8/c1-5-40(53)49(32-16-10-7-11-17-32)27-33-18-12-13-20-48(33)21-19-38(51)46-36(24-31-14-8-6-9-15-31)42(55)44-26-39(52)45-30(4)41(54)47-37(43(56)57)25-35-28(2)22-34(50)23-29(35)3/h6-11,14-17,22-23,30,33,36-37,50H,5,12-13,18-21,24-27H2,1-4H3,(H,44,55)(H,45,52)(H,46,51)(H,47,54)(H,56,57)/t30-,33?,36+,37+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor after 180 mins by scintillation counting analysis |
Bioorg Med Chem Lett 26: 222-7 (2016)
Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50586823
(CHEMBL5090705)Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1cc(C)c(O)c(C)c1)c1ccc(Cl)c(Cl)c1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-DPDPE from human delta opioid receptor expressed in mouse HN9.10 cells assessed as inhibition constant by radioligand binding as... |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116509
BindingDB Entry DOI: 10.7270/Q2FX7FCX |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50121661
(CHEMBL3616882)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C85H120N24O19S/c1-47(99-72(117)56(86)36-49-25-27-53(111)28-26-49)71(116)97-42-69(114)101-60(37-48-14-3-2-4-15-48)73(118)93-33-29-68(113)100-57(20-9-30-94-83(87)88)74(119)103-58(21-10-31-95-84(89)90)78(123)106-34-12-24-64(106)80(125)108-45-54(112)40-65(108)76(121)98-43-70(115)102-61(41-55-19-13-35-129-55)75(120)105-62(46-110)79(124)107-44-52-18-6-5-16-50(52)38-67(107)81(126)109-63-23-8-7-17-51(63)39-66(109)77(122)104-59(82(127)128)22-11-32-96-85(91)92/h2-6,13-16,18-19,25-28,35,47,51,54,56-67,110-112H,7-12,17,20-24,29-34,36-46,86H2,1H3,(H,93,118)(H,97,116)(H,98,121)(H,99,117)(H,100,113)(H,101,114)(H,102,115)(H,103,119)(H,104,122)(H,105,120)(H,127,128)(H4,87,88,94)(H4,89,90,95)(H4,91,92,96)/t47-,51?,54?,56+,57-,58+,59+,60+,61?,62+,63?,64+,65?,66?,67-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50586821
(CHEMBL5089012)Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1cc(C)c(O)c(C)c1)c1ccc(Cl)c(Cl)c1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells assessed as inhibition constant by radioligand binding assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116509
BindingDB Entry DOI: 10.7270/Q2FX7FCX |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM21014
((2S)-2-amino-N-[(1R)-1-[({[(1S)-1-{N'-[(2S)-2-{2-[...)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28-,35+,36+,37+,38+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara"G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from MOR in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis |
J Med Chem 56: 3419-23 (2013)
Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50499069
(CHEMBL4299390)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H65F6N9O8/c1-30(2)18-44(52(77)69-45(24-36-28-64-43-15-10-9-14-40(36)43)51(76)65-27-35-21-37(55(57,58)59)25-38(22-35)56(60,61)62)70-53(78)47-16-11-17-71(47)54(79)46(23-34-12-7-6-8-13-34)68-48(73)29-66-49(74)33(5)67-50(75)42(63)26-41-31(3)19-39(72)20-32(41)4/h6-10,12-15,19-22,25,28,30,33,42,44-47,64,72H,11,16-18,23-24,26-27,29,63H2,1-5H3,(H,65,76)(H,66,74)(H,67,75)(H,68,73)(H,69,77)(H,70,78)/t33-,42-,44-,45-,46-,47-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from recombinant human neurokinin-1 receptor expressed in CHO cells incubated for 20 mins by liquid scintillation counting |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170
BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50586819
(CHEMBL5086370)Show SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccc(Cl)c(Cl)c1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in mouse HN9.10 cells assessed as inhibition constant by radioligand binding a... |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116509
BindingDB Entry DOI: 10.7270/Q2FX7FCX |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50500606
(CHEMBL3752678)Show SMILES CCC(=O)N(CC1CCCCN1[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C38H47N5O7/c1-3-35(46)43(29-14-8-5-9-15-29)25-30-16-10-11-21-42(30)33(23-27-12-6-4-7-13-27)37(48)39-24-34(45)40-26(2)36(47)41-32(38(49)50)22-28-17-19-31(44)20-18-28/h4-9,12-15,17-20,26,30,32-33,44H,3,10-11,16,21-25H2,1-2H3,(H,39,48)(H,40,45)(H,41,47)(H,49,50)/t26-,30?,32+,33+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor after 180 mins by scintillation counting analysis |
Bioorg Med Chem Lett 26: 222-7 (2016)
Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50121682
(CHEMBL3616886)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCCCC(=O)NCC(N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C93H136N26O20S/c1-53(109-79(127)62(94)41-55-31-33-59(121)34-32-55)78(126)107-48-76(124)110-67(42-54-19-6-5-7-20-54)81(129)102-35-13-4-2-3-8-30-75(123)106-47-63(95)80(128)112-64(25-14-36-103-91(96)97)82(130)113-65(26-15-37-104-92(98)99)86(134)116-39-17-29-71(116)88(136)118-51-60(122)45-72(118)84(132)108-49-77(125)111-68(46-61-24-18-40-140-61)83(131)115-69(52-120)87(135)117-50-58-23-10-9-21-56(58)43-74(117)89(137)119-70-28-12-11-22-57(70)44-73(119)85(133)114-66(90(138)139)27-16-38-105-93(100)101/h5-7,9-10,18-21,23-24,31-34,40,53,57,60,62-74,120-122H,2-4,8,11-17,22,25-30,35-39,41-52,94-95H2,1H3,(H,102,129)(H,106,123)(H,107,126)(H,108,132)(H,109,127)(H,110,124)(H,111,125)(H,112,128)(H,113,130)(H,114,133)(H,115,131)(H,138,139)(H4,96,97,103)(H4,98,99,104)(H4,100,101,105)/t53-,57?,60?,62+,63?,64-,65+,66+,67+,68?,69+,70?,71+,72?,73?,74-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50121660
(CHEMBL3616883)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCCCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C90H130N24O19S/c1-52(104-77(122)61(91)41-54-31-33-58(116)34-32-54)76(121)102-47-74(119)106-65(42-53-19-6-5-7-20-53)78(123)98-35-13-4-2-3-8-30-73(118)105-62(25-14-36-99-88(92)93)79(124)108-63(26-15-37-100-89(94)95)83(128)111-39-17-29-69(111)85(130)113-50-59(117)45-70(113)81(126)103-48-75(120)107-66(46-60-24-18-40-134-60)80(125)110-67(51-115)84(129)112-49-57-23-10-9-21-55(57)43-72(112)86(131)114-68-28-12-11-22-56(68)44-71(114)82(127)109-64(87(132)133)27-16-38-101-90(96)97/h5-7,9-10,18-21,23-24,31-34,40,52,56,59,61-72,115-117H,2-4,8,11-17,22,25-30,35-39,41-51,91H2,1H3,(H,98,123)(H,102,121)(H,103,126)(H,104,122)(H,105,118)(H,106,119)(H,107,120)(H,108,124)(H,109,127)(H,110,125)(H,132,133)(H4,92,93,99)(H4,94,95,100)(H4,96,97,101)/t52-,56?,59?,61+,62-,63+,64+,65+,66?,67+,68?,69+,70?,71?,72-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50121681
(CHEMBL3616887)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C80H114N24O17S/c1-44(95-68(111)53(82)34-46-25-27-50(106)28-26-46)66(109)93-40-64(107)96-56(35-45-14-3-2-4-15-45)69(112)92-39-58(100-72(115)61-24-12-32-102(61)74(117)54(21-10-30-90-79(85)86)98-67(110)52(81)20-9-29-89-78(83)84)70(113)94-41-65(108)97-57(38-51-19-13-33-122-51)71(114)101-59(43-105)75(118)103-42-49-18-6-5-16-47(49)36-63(103)76(119)104-60-23-8-7-17-48(60)37-62(104)73(116)99-55(77(120)121)22-11-31-91-80(87)88/h2-6,13-16,18-19,25-28,33,44,48,52-63,105-106H,7-12,17,20-24,29-32,34-43,81-82H2,1H3,(H,92,112)(H,93,109)(H,94,113)(H,95,111)(H,96,107)(H,97,108)(H,98,110)(H,99,116)(H,100,115)(H,101,114)(H,120,121)(H4,83,84,89)(H4,85,86,90)(H4,87,88,91)/t44-,48?,52+,53+,54+,55+,56+,57?,58?,59+,60?,61+,62?,63-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50119525
(CHEMBL3613882)Show SMILES CCC(=O)N(C1CCN(Cc2ccc3[C@@H](O)CCCc3c2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C25H32N2O2/c1-2-25(29)27(21-8-4-3-5-9-21)22-13-15-26(16-14-22)18-19-11-12-23-20(17-19)7-6-10-24(23)28/h3-5,8-9,11-12,17,22,24,28H,2,6-7,10,13-16,18H2,1H3/t24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DAMGO from rat mu opioid receptor transfected in HN9.10 cell membranes by scintillation counting analysis |
Bioorg Med Chem 23: 6185-94 (2015)
Article DOI: 10.1016/j.bmc.2015.07.071
BindingDB Entry DOI: 10.7270/Q2S46TSN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50500606
(CHEMBL3752678)Show SMILES CCC(=O)N(CC1CCCCN1[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C38H47N5O7/c1-3-35(46)43(29-14-8-5-9-15-29)25-30-16-10-11-21-42(30)33(23-27-12-6-4-7-13-27)37(48)39-24-34(45)40-26(2)36(47)41-32(38(49)50)22-28-17-19-31(44)20-18-28/h4-9,12-15,17-20,26,30,32-33,44H,3,10-11,16,21-25H2,1-2H3,(H,39,48)(H,40,45)(H,41,47)(H,49,50)/t26-,30?,32+,33+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu-opioid receptor in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis |
Bioorg Med Chem Lett 26: 222-7 (2016)
Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50586815
(CHEMBL5083183)Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccc(Cl)c(Cl)c1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-DPDPE from human delta opioid receptor expressed in mouse HN9.10 cells assessed as inhibition constant by radioligand binding as... |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116509
BindingDB Entry DOI: 10.7270/Q2FX7FCX |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50586819
(CHEMBL5086370)Show SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccc(Cl)c(Cl)c1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells assessed as inhibition constant by radioligand binding assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116509
BindingDB Entry DOI: 10.7270/Q2FX7FCX |
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Ligand-Target Pair | |
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