Found 66 hits Enz. Inhib. hit(s) with all data for entry = 50033203 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 |
|---|
Substance-P receptor
(Homo sapiens (Human)) | BDBM50341318
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-15-(4-hyd...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)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/C61H74F6N10O9S/c1-33(2)21-48(56(83)75-50(27-39-31-69-46-16-11-10-15-43(39)46)55(82)70-30-38-24-40(60(62,63)64)28-41(25-38)61(65,66)67)76-58(85)51-17-12-19-77(51)59(86)47(18-20-87-6)74-57(84)49(26-37-13-8-7-9-14-37)73-52(79)32-71-53(80)36(5)72-54(81)45(68)29-44-34(3)22-42(78)23-35(44)4/h7-11,13-16,22-25,28,31,33,36,45,47-51,69,78H,12,17-21,26-27,29-30,32,68H2,1-6H3,(H,70,82)(H,71,80)(H,72,81)(H,73,79)(H,74,84)(H,75,83)(H,76,85)/t36-,45+,47+,48+,49+,50+,51+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00790 | 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]substance P from human NK1 receptor expressed in CHO cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50341318
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-15-(4-hyd...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)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/C61H74F6N10O9S/c1-33(2)21-48(56(83)75-50(27-39-31-69-46-16-11-10-15-43(39)46)55(82)70-30-38-24-40(60(62,63)64)28-41(25-38)61(65,66)67)76-58(85)51-17-12-19-77(51)59(86)47(18-20-87-6)74-57(84)49(26-37-13-8-7-9-14-37)73-52(79)32-71-53(80)36(5)72-54(81)45(68)29-44-34(3)22-42(78)23-35(44)4/h7-11,13-16,22-25,28,31,33,36,45,47-51,69,78H,12,17-21,26-27,29-30,32,68H2,1-6H3,(H,70,82)(H,71,80)(H,72,81)(H,73,79)(H,74,84)(H,75,83)(H,76,85)/t36-,45+,47+,48+,49+,50+,51+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00790 | 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]substance P from human NK1 receptor expressed in CHO cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50341314
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)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/C62H76F6N10O9/c1-7-8-18-48(75-58(85)50(27-38-15-10-9-11-16-38)74-53(80)33-72-54(81)37(6)73-55(82)46(69)30-45-35(4)23-43(79)24-36(45)5)60(87)78-21-14-20-52(78)59(86)77-49(22-34(2)3)57(84)76-51(28-40-32-70-47-19-13-12-17-44(40)47)56(83)71-31-39-25-41(61(63,64)65)29-42(26-39)62(66,67)68/h9-13,15-17,19,23-26,29,32,34,37,46,48-52,70,79H,7-8,14,18,20-22,27-28,30-31,33,69H2,1-6H3,(H,71,83)(H,72,81)(H,73,82)(H,74,80)(H,75,85)(H,76,84)(H,77,86)/t37-,46+,48+,49+,50+,51+,52+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0750 | 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]substance P from human NK1 receptor expressed in CHO cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50341314
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)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/C62H76F6N10O9/c1-7-8-18-48(75-58(85)50(27-38-15-10-9-11-16-38)74-53(80)33-72-54(81)37(6)73-55(82)46(69)30-45-35(4)23-43(79)24-36(45)5)60(87)78-21-14-20-52(78)59(86)77-49(22-34(2)3)57(84)76-51(28-40-32-70-47-19-13-12-17-44(40)47)56(83)71-31-39-25-41(61(63,64)65)29-42(26-39)62(66,67)68/h9-13,15-17,19,23-26,29,32,34,37,46,48-52,70,79H,7-8,14,18,20-22,27-28,30-31,33,69H2,1-6H3,(H,71,83)(H,72,81)(H,73,82)(H,74,80)(H,75,85)(H,76,84)(H,77,86)/t37-,46+,48+,49+,50+,51+,52+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0750 | 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]substance P from human NK1 receptor expressed in CHO cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50341318
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-15-(4-hyd...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)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/C61H74F6N10O9S/c1-33(2)21-48(56(83)75-50(27-39-31-69-46-16-11-10-15-43(39)46)55(82)70-30-38-24-40(60(62,63)64)28-41(25-38)61(65,66)67)76-58(85)51-17-12-19-77(51)59(86)47(18-20-87-6)74-57(84)49(26-37-13-8-7-9-14-37)73-52(79)32-71-53(80)36(5)72-54(81)45(68)29-44-34(3)22-42(78)23-35(44)4/h7-11,13-16,22-25,28,31,33,36,45,47-51,69,78H,12,17-21,26-27,29-30,32,68H2,1-6H3,(H,70,82)(H,71,80)(H,72,81)(H,73,79)(H,74,84)(H,75,83)(H,76,85)/t36-,45+,47+,48+,49+,50+,51+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.180 | 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 expressed in mouse HN9.10 cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50341315
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C63H78F6N10O9/c1-8-9-19-49(75-58(85)51(28-39-16-11-10-12-17-39)74-54(81)33-72-55(82)38(6)73-56(83)47(70)31-46-36(4)24-44(80)25-37(46)5)61(88)79-22-15-21-53(79)59(86)76-50(23-35(2)3)57(84)77-52(29-41-32-71-48-20-14-13-18-45(41)48)60(87)78(7)34-40-26-42(62(64,65)66)30-43(27-40)63(67,68)69/h10-14,16-18,20,24-27,30,32,35,38,47,49-53,71,80H,8-9,15,19,21-23,28-29,31,33-34,70H2,1-7H3,(H,72,82)(H,73,83)(H,74,81)(H,75,85)(H,76,86)(H,77,84)/t38-,47+,49+,50+,51+,52+,53+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.210 | 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]substance P from human NK1 receptor expressed in CHO cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50341315
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C63H78F6N10O9/c1-8-9-19-49(75-58(85)51(28-39-16-11-10-12-17-39)74-54(81)33-72-55(82)38(6)73-56(83)47(70)31-46-36(4)24-44(80)25-37(46)5)61(88)79-22-15-21-53(79)59(86)76-50(23-35(2)3)57(84)77-52(29-41-32-71-48-20-14-13-18-45(41)48)60(87)78(7)34-40-26-42(62(64,65)66)30-43(27-40)63(67,68)69/h10-14,16-18,20,24-27,30,32,35,38,47,49-53,71,80H,8-9,15,19,21-23,28-29,31,33-34,70H2,1-7H3,(H,72,82)(H,73,83)(H,74,81)(H,75,85)(H,76,86)(H,77,84)/t38-,47+,49+,50+,51+,52+,53+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.210 | 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]substance P from human NK1 receptor expressed in CHO cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50341317
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(OC)c(OC)c1 |r| Show InChI InChI=1S/C62H82N10O11/c1-9-10-20-48(69-60(79)50(29-40-17-12-11-13-18-40)68-55(74)35-66-56(75)39(6)67-57(76)46(63)32-45-37(4)27-43(73)28-38(45)5)62(81)72-25-16-22-52(72)61(80)71-49(26-36(2)3)59(78)70-51(31-42-34-64-47-21-15-14-19-44(42)47)58(77)65-33-41-23-24-53(82-7)54(30-41)83-8/h11-15,17-19,21,23-24,27-28,30,34,36,39,46,48-52,64,73H,9-10,16,20,22,25-26,29,31-33,35,63H2,1-8H3,(H,65,77)(H,66,75)(H,67,76)(H,68,74)(H,69,79)(H,70,78)(H,71,80)/t39-,46+,48+,49+,50+,51+,52+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.340 | 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 expressed in mouse HN9.10 cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50341315
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C63H78F6N10O9/c1-8-9-19-49(75-58(85)51(28-39-16-11-10-12-17-39)74-54(81)33-72-55(82)38(6)73-56(83)47(70)31-46-36(4)24-44(80)25-37(46)5)61(88)79-22-15-21-53(79)59(86)76-50(23-35(2)3)57(84)77-52(29-41-32-71-48-20-14-13-18-45(41)48)60(87)78(7)34-40-26-42(62(64,65)66)30-43(27-40)63(67,68)69/h10-14,16-18,20,24-27,30,32,35,38,47,49-53,71,80H,8-9,15,19,21-23,28-29,31,33-34,70H2,1-7H3,(H,72,82)(H,73,83)(H,74,81)(H,75,85)(H,76,86)(H,77,84)/t38-,47+,49+,50+,51+,52+,53+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.460 | 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 expressed in mouse HN9.10 cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM21016
(CHEMBL22870 | L 732138 | L-732,138 | L732138 | N-a...)Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C22H18F6N2O3/c1-12(31)30-19(8-14-10-29-18-5-3-2-4-17(14)18)20(32)33-11-13-6-15(21(23,24)25)9-16(7-13)22(26,27)28/h2-7,9-10,19,29H,8,11H2,1H3,(H,30,31)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.730 | 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]substance P from human NK1 receptor expressed in CHO cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM21016
(CHEMBL22870 | L 732138 | L-732,138 | L732138 | N-a...)Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C22H18F6N2O3/c1-12(31)30-19(8-14-10-29-18-5-3-2-4-17(14)18)20(32)33-11-13-6-15(21(23,24)25)9-16(7-13)22(26,27)28/h2-7,9-10,19,29H,8,11H2,1H3,(H,30,31)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.730 | 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]substance P from human NK1 receptor expressed in CHO cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50341316
((S)-N-((S)-1-((S)-3-(1H-indol-3-yl)-1-oxo-1-(3-(tr...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C61H77F3N10O9/c1-7-8-21-48(71-58(81)50(29-39-16-10-9-11-17-39)70-53(76)34-68-54(77)38(6)69-55(78)46(65)31-45-36(4)26-43(75)27-37(45)5)60(83)74-24-15-23-52(74)59(82)73-49(25-35(2)3)57(80)72-51(30-41-33-66-47-22-13-12-20-44(41)47)56(79)67-32-40-18-14-19-42(28-40)61(62,63)64/h9-14,16-20,22,26-28,33,35,38,46,48-52,66,75H,7-8,15,21,23-25,29-32,34,65H2,1-6H3,(H,67,79)(H,68,77)(H,69,78)(H,70,76)(H,71,81)(H,72,80)(H,73,82)/t38-,46+,48+,49+,50+,51+,52+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.740 | 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 expressed in mouse HN9.10 cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50341316
((S)-N-((S)-1-((S)-3-(1H-indol-3-yl)-1-oxo-1-(3-(tr...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C61H77F3N10O9/c1-7-8-21-48(71-58(81)50(29-39-16-10-9-11-17-39)70-53(76)34-68-54(77)38(6)69-55(78)46(65)31-45-36(4)26-43(75)27-37(45)5)60(83)74-24-15-23-52(74)59(82)73-49(25-35(2)3)57(80)72-51(30-41-33-66-47-22-13-12-20-44(41)47)56(79)67-32-40-18-14-19-42(28-40)61(62,63)64/h9-14,16-20,22,26-28,33,35,38,46,48-52,66,75H,7-8,15,21,23-25,29-32,34,65H2,1-6H3,(H,67,79)(H,68,77)(H,69,78)(H,70,76)(H,71,81)(H,72,80)(H,73,82)/t38-,46+,48+,49+,50+,51+,52+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.740 | 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 expressed in mouse HN9.10 cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50341317
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(OC)c(OC)c1 |r| Show InChI InChI=1S/C62H82N10O11/c1-9-10-20-48(69-60(79)50(29-40-17-12-11-13-18-40)68-55(74)35-66-56(75)39(6)67-57(76)46(63)32-45-37(4)27-43(73)28-38(45)5)62(81)72-25-16-22-52(72)61(80)71-49(26-36(2)3)59(78)70-51(31-42-34-64-47-21-15-14-19-44(42)47)58(77)65-33-41-23-24-53(82-7)54(30-41)83-8/h11-15,17-19,21,23-24,27-28,30,34,36,39,46,48-52,64,73H,9-10,16,20,22,25-26,29,31-33,35,63H2,1-8H3,(H,65,77)(H,66,75)(H,67,76)(H,68,74)(H,69,79)(H,70,78)(H,71,80)/t39-,46+,48+,49+,50+,51+,52+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.950 | 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]substance P from human NK1 receptor expressed in CHO cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50341316
((S)-N-((S)-1-((S)-3-(1H-indol-3-yl)-1-oxo-1-(3-(tr...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C61H77F3N10O9/c1-7-8-21-48(71-58(81)50(29-39-16-10-9-11-17-39)70-53(76)34-68-54(77)38(6)69-55(78)46(65)31-45-36(4)26-43(75)27-37(45)5)60(83)74-24-15-23-52(74)59(82)73-49(25-35(2)3)57(80)72-51(30-41-33-66-47-22-13-12-20-44(41)47)56(79)67-32-40-18-14-19-42(28-40)61(62,63)64/h9-14,16-20,22,26-28,33,35,38,46,48-52,66,75H,7-8,15,21,23-25,29-32,34,65H2,1-6H3,(H,67,79)(H,68,77)(H,69,78)(H,70,76)(H,71,81)(H,72,80)(H,73,82)/t38-,46+,48+,49+,50+,51+,52+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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]substance P from human NK1 receptor expressed in CHO cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50341316
((S)-N-((S)-1-((S)-3-(1H-indol-3-yl)-1-oxo-1-(3-(tr...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C61H77F3N10O9/c1-7-8-21-48(71-58(81)50(29-39-16-10-9-11-17-39)70-53(76)34-68-54(77)38(6)69-55(78)46(65)31-45-36(4)26-43(75)27-37(45)5)60(83)74-24-15-23-52(74)59(82)73-49(25-35(2)3)57(80)72-51(30-41-33-66-47-22-13-12-20-44(41)47)56(79)67-32-40-18-14-19-42(28-40)61(62,63)64/h9-14,16-20,22,26-28,33,35,38,46,48-52,66,75H,7-8,15,21,23-25,29-32,34,65H2,1-6H3,(H,67,79)(H,68,77)(H,69,78)(H,70,76)(H,71,81)(H,72,80)(H,73,82)/t38-,46+,48+,49+,50+,51+,52+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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]substance P from human NK1 receptor expressed in CHO cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50341314
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)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/C62H76F6N10O9/c1-7-8-18-48(75-58(85)50(27-38-15-10-9-11-16-38)74-53(80)33-72-54(81)37(6)73-55(82)46(69)30-45-35(4)23-43(79)24-36(45)5)60(87)78-21-14-20-52(78)59(86)77-49(22-34(2)3)57(84)76-51(28-40-32-70-47-19-13-12-17-44(40)47)56(83)71-31-39-25-41(61(63,64)65)29-42(26-39)62(66,67)68/h9-13,15-17,19,23-26,29,32,34,37,46,48-52,70,79H,7-8,14,18,20-22,27-28,30-31,33,69H2,1-6H3,(H,71,83)(H,72,81)(H,73,82)(H,74,80)(H,75,85)(H,76,84)(H,77,86)/t37-,46+,48+,49+,50+,51+,52+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
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 |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50341315
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C63H78F6N10O9/c1-8-9-19-49(75-58(85)51(28-39-16-11-10-12-17-39)74-54(81)33-72-55(82)38(6)73-56(83)47(70)31-46-36(4)24-44(80)25-37(46)5)61(88)79-22-15-21-53(79)59(86)76-50(23-35(2)3)57(84)77-52(29-41-32-71-48-20-14-13-18-45(41)48)60(87)78(7)34-40-26-42(62(64,65)66)30-43(27-40)63(67,68)69/h10-14,16-18,20,24-27,30,32,35,38,47,49-53,71,80H,8-9,15,19,21-23,28-29,31,33-34,70H2,1-7H3,(H,72,82)(H,73,83)(H,74,81)(H,75,85)(H,76,86)(H,77,84)/t38-,47+,49+,50+,51+,52+,53+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80 | 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 expressed in mouse HN9.10 cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50341318
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-15-(4-hyd...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)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/C61H74F6N10O9S/c1-33(2)21-48(56(83)75-50(27-39-31-69-46-16-11-10-15-43(39)46)55(82)70-30-38-24-40(60(62,63)64)28-41(25-38)61(65,66)67)76-58(85)51-17-12-19-77(51)59(86)47(18-20-87-6)74-57(84)49(26-37-13-8-7-9-14-37)73-52(79)32-71-53(80)36(5)72-54(81)45(68)29-44-34(3)22-42(78)23-35(44)4/h7-11,13-16,22-25,28,31,33,36,45,47-51,69,78H,12,17-21,26-27,29-30,32,68H2,1-6H3,(H,70,82)(H,71,80)(H,72,81)(H,73,79)(H,74,84)(H,75,83)(H,76,85)/t36-,45+,47+,48+,49+,50+,51+/m1/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 expressed in mouse HN9.10 cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50341318
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-15-(4-hyd...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)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/C61H74F6N10O9S/c1-33(2)21-48(56(83)75-50(27-39-31-69-46-16-11-10-15-43(39)46)55(82)70-30-38-24-40(60(62,63)64)28-41(25-38)61(65,66)67)76-58(85)51-17-12-19-77(51)59(86)47(18-20-87-6)74-57(84)49(26-37-13-8-7-9-14-37)73-52(79)32-71-53(80)36(5)72-54(81)45(68)29-44-34(3)22-42(78)23-35(44)4/h7-11,13-16,22-25,28,31,33,36,45,47-51,69,78H,12,17-21,26-27,29-30,32,68H2,1-6H3,(H,70,82)(H,71,80)(H,72,81)(H,73,79)(H,74,84)(H,75,83)(H,76,85)/t36-,45+,47+,48+,49+,50+,51+/m1/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 expressed in mouse HN9.10 cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50341318
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-15-(4-hyd...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)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/C61H74F6N10O9S/c1-33(2)21-48(56(83)75-50(27-39-31-69-46-16-11-10-15-43(39)46)55(82)70-30-38-24-40(60(62,63)64)28-41(25-38)61(65,66)67)76-58(85)51-17-12-19-77(51)59(86)47(18-20-87-6)74-57(84)49(26-37-13-8-7-9-14-37)73-52(79)32-71-53(80)36(5)72-54(81)45(68)29-44-34(3)22-42(78)23-35(44)4/h7-11,13-16,22-25,28,31,33,36,45,47-51,69,78H,12,17-21,26-27,29-30,32,68H2,1-6H3,(H,70,82)(H,71,80)(H,72,81)(H,73,79)(H,74,84)(H,75,83)(H,76,85)/t36-,45+,47+,48+,49+,50+,51+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30 | 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]substance P from rat NK1 receptor expressed in CHO cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50341318
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-15-(4-hyd...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)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/C61H74F6N10O9S/c1-33(2)21-48(56(83)75-50(27-39-31-69-46-16-11-10-15-43(39)46)55(82)70-30-38-24-40(60(62,63)64)28-41(25-38)61(65,66)67)76-58(85)51-17-12-19-77(51)59(86)47(18-20-87-6)74-57(84)49(26-37-13-8-7-9-14-37)73-52(79)32-71-53(80)36(5)72-54(81)45(68)29-44-34(3)22-42(78)23-35(44)4/h7-11,13-16,22-25,28,31,33,36,45,47-51,69,78H,12,17-21,26-27,29-30,32,68H2,1-6H3,(H,70,82)(H,71,80)(H,72,81)(H,73,79)(H,74,84)(H,75,83)(H,76,85)/t36-,45+,47+,48+,49+,50+,51+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30 | 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]substance P from rat NK1 receptor expressed in CHO cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | 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
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.60 | 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 expressed in mouse HN9.10 cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50341316
((S)-N-((S)-1-((S)-3-(1H-indol-3-yl)-1-oxo-1-(3-(tr...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C61H77F3N10O9/c1-7-8-21-48(71-58(81)50(29-39-16-10-9-11-17-39)70-53(76)34-68-54(77)38(6)69-55(78)46(65)31-45-36(4)26-43(75)27-37(45)5)60(83)74-24-15-23-52(74)59(82)73-49(25-35(2)3)57(80)72-51(30-41-33-66-47-22-13-12-20-44(41)47)56(79)67-32-40-18-14-19-42(28-40)61(62,63)64/h9-14,16-20,22,26-28,33,35,38,46,48-52,66,75H,7-8,15,21,23-25,29-32,34,65H2,1-6H3,(H,67,79)(H,68,77)(H,69,78)(H,70,76)(H,71,81)(H,72,80)(H,73,82)/t38-,46+,48+,49+,50+,51+,52+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.10 | 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 expressed in mouse HN9.10 cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50341315
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C63H78F6N10O9/c1-8-9-19-49(75-58(85)51(28-39-16-11-10-12-17-39)74-54(81)33-72-55(82)38(6)73-56(83)47(70)31-46-36(4)24-44(80)25-37(46)5)61(88)79-22-15-21-53(79)59(86)76-50(23-35(2)3)57(84)77-52(29-41-32-71-48-20-14-13-18-45(41)48)60(87)78(7)34-40-26-42(62(64,65)66)30-43(27-40)63(67,68)69/h10-14,16-18,20,24-27,30,32,35,38,47,49-53,71,80H,8-9,15,19,21-23,28-29,31,33-34,70H2,1-7H3,(H,72,82)(H,73,83)(H,74,81)(H,75,85)(H,76,86)(H,77,84)/t38-,47+,49+,50+,51+,52+,53+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | 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]substance P from rat NK1 receptor expressed in CHO cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50341315
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C63H78F6N10O9/c1-8-9-19-49(75-58(85)51(28-39-16-11-10-12-17-39)74-54(81)33-72-55(82)38(6)73-56(83)47(70)31-46-36(4)24-44(80)25-37(46)5)61(88)79-22-15-21-53(79)59(86)76-50(23-35(2)3)57(84)77-52(29-41-32-71-48-20-14-13-18-45(41)48)60(87)78(7)34-40-26-42(62(64,65)66)30-43(27-40)63(67,68)69/h10-14,16-18,20,24-27,30,32,35,38,47,49-53,71,80H,8-9,15,19,21-23,28-29,31,33-34,70H2,1-7H3,(H,72,82)(H,73,83)(H,74,81)(H,75,85)(H,76,86)(H,77,84)/t38-,47+,49+,50+,51+,52+,53+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | 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]substance P from rat NK1 receptor expressed in CHO cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50341314
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)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/C62H76F6N10O9/c1-7-8-18-48(75-58(85)50(27-38-15-10-9-11-16-38)74-53(80)33-72-54(81)37(6)73-55(82)46(69)30-45-35(4)23-43(79)24-36(45)5)60(87)78-21-14-20-52(78)59(86)77-49(22-34(2)3)57(84)76-51(28-40-32-70-47-19-13-12-17-44(40)47)56(83)71-31-39-25-41(61(63,64)65)29-42(26-39)62(66,67)68/h9-13,15-17,19,23-26,29,32,34,37,46,48-52,70,79H,7-8,14,18,20-22,27-28,30-31,33,69H2,1-6H3,(H,71,83)(H,72,81)(H,73,82)(H,74,80)(H,75,85)(H,76,84)(H,77,86)/t37-,46+,48+,49+,50+,51+,52+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | 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]substance P from rat NK1 receptor expressed in CHO cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50341314
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)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/C62H76F6N10O9/c1-7-8-18-48(75-58(85)50(27-38-15-10-9-11-16-38)74-53(80)33-72-54(81)37(6)73-55(82)46(69)30-45-35(4)23-43(79)24-36(45)5)60(87)78-21-14-20-52(78)59(86)77-49(22-34(2)3)57(84)76-51(28-40-32-70-47-19-13-12-17-44(40)47)56(83)71-31-39-25-41(61(63,64)65)29-42(26-39)62(66,67)68/h9-13,15-17,19,23-26,29,32,34,37,46,48-52,70,79H,7-8,14,18,20-22,27-28,30-31,33,69H2,1-6H3,(H,71,83)(H,72,81)(H,73,82)(H,74,80)(H,75,85)(H,76,84)(H,77,86)/t37-,46+,48+,49+,50+,51+,52+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | 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]substance P from rat NK1 receptor expressed in CHO cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM21016
(CHEMBL22870 | L 732138 | L-732,138 | L732138 | N-a...)Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C22H18F6N2O3/c1-12(31)30-19(8-14-10-29-18-5-3-2-4-17(14)18)20(32)33-11-13-6-15(21(23,24)25)9-16(7-13)22(26,27)28/h2-7,9-10,19,29H,8,11H2,1H3,(H,30,31)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 130 | 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]substance P from rat NK1 receptor expressed in CHO cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM21016
(CHEMBL22870 | L 732138 | L-732,138 | L732138 | N-a...)Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C22H18F6N2O3/c1-12(31)30-19(8-14-10-29-18-5-3-2-4-17(14)18)20(32)33-11-13-6-15(21(23,24)25)9-16(7-13)22(26,27)28/h2-7,9-10,19,29H,8,11H2,1H3,(H,30,31)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 130 | 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]substance P from rat NK1 receptor expressed in CHO cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50341316
((S)-N-((S)-1-((S)-3-(1H-indol-3-yl)-1-oxo-1-(3-(tr...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C61H77F3N10O9/c1-7-8-21-48(71-58(81)50(29-39-16-10-9-11-17-39)70-53(76)34-68-54(77)38(6)69-55(78)46(65)31-45-36(4)26-43(75)27-37(45)5)60(83)74-24-15-23-52(74)59(82)73-49(25-35(2)3)57(80)72-51(30-41-33-66-47-22-13-12-20-44(41)47)56(79)67-32-40-18-14-19-42(28-40)61(62,63)64/h9-14,16-20,22,26-28,33,35,38,46,48-52,66,75H,7-8,15,21,23-25,29-32,34,65H2,1-6H3,(H,67,79)(H,68,77)(H,69,78)(H,70,76)(H,71,81)(H,72,80)(H,73,82)/t38-,46+,48+,49+,50+,51+,52+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 140 | 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]substance P from rat NK1 receptor expressed in CHO cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50341317
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(OC)c(OC)c1 |r| Show InChI InChI=1S/C62H82N10O11/c1-9-10-20-48(69-60(79)50(29-40-17-12-11-13-18-40)68-55(74)35-66-56(75)39(6)67-57(76)46(63)32-45-37(4)27-43(73)28-38(45)5)62(81)72-25-16-22-52(72)61(80)71-49(26-36(2)3)59(78)70-51(31-42-34-64-47-21-15-14-19-44(42)47)58(77)65-33-41-23-24-53(82-7)54(30-41)83-8/h11-15,17-19,21,23-24,27-28,30,34,36,39,46,48-52,64,73H,9-10,16,20,22,25-26,29,31-33,35,63H2,1-8H3,(H,65,77)(H,66,75)(H,67,76)(H,68,74)(H,69,79)(H,70,78)(H,71,80)/t39-,46+,48+,49+,50+,51+,52+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 320 | 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]substance P from rat NK1 receptor expressed in CHO cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50341317
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(OC)c(OC)c1 |r| Show InChI InChI=1S/C62H82N10O11/c1-9-10-20-48(69-60(79)50(29-40-17-12-11-13-18-40)68-55(74)35-66-56(75)39(6)67-57(76)46(63)32-45-37(4)27-43(73)28-38(45)5)62(81)72-25-16-22-52(72)61(80)71-49(26-36(2)3)59(78)70-51(31-42-34-64-47-21-15-14-19-44(42)47)58(77)65-33-41-23-24-53(82-7)54(30-41)83-8/h11-15,17-19,21,23-24,27-28,30,34,36,39,46,48-52,64,73H,9-10,16,20,22,25-26,29,31-33,35,63H2,1-8H3,(H,65,77)(H,66,75)(H,67,76)(H,68,74)(H,69,79)(H,70,78)(H,71,80)/t39-,46+,48+,49+,50+,51+,52+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 320 | 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]substance P from rat NK1 receptor expressed in CHO cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50341317
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(OC)c(OC)c1 |r| Show InChI InChI=1S/C62H82N10O11/c1-9-10-20-48(69-60(79)50(29-40-17-12-11-13-18-40)68-55(74)35-66-56(75)39(6)67-57(76)46(63)32-45-37(4)27-43(73)28-38(45)5)62(81)72-25-16-22-52(72)61(80)71-49(26-36(2)3)59(78)70-51(31-42-34-64-47-21-15-14-19-44(42)47)58(77)65-33-41-23-24-53(82-7)54(30-41)83-8/h11-15,17-19,21,23-24,27-28,30,34,36,39,46,48-52,64,73H,9-10,16,20,22,25-26,29,31-33,35,63H2,1-8H3,(H,65,77)(H,66,75)(H,67,76)(H,68,74)(H,69,79)(H,70,78)(H,71,80)/t39-,46+,48+,49+,50+,51+,52+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.316 | 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 expressed in mouse HN9.10 cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50341317
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(OC)c(OC)c1 |r| Show InChI InChI=1S/C62H82N10O11/c1-9-10-20-48(69-60(79)50(29-40-17-12-11-13-18-40)68-55(74)35-66-56(75)39(6)67-57(76)46(63)32-45-37(4)27-43(73)28-38(45)5)62(81)72-25-16-22-52(72)61(80)71-49(26-36(2)3)59(78)70-51(31-42-34-64-47-21-15-14-19-44(42)47)58(77)65-33-41-23-24-53(82-7)54(30-41)83-8/h11-15,17-19,21,23-24,27-28,30,34,36,39,46,48-52,64,73H,9-10,16,20,22,25-26,29,31-33,35,63H2,1-8H3,(H,65,77)(H,66,75)(H,67,76)(H,68,74)(H,69,79)(H,70,78)(H,71,80)/t39-,46+,48+,49+,50+,51+,52+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.631 | 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 expressed in mouse HN9.10 cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50341318
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-15-(4-hyd...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)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/C61H74F6N10O9S/c1-33(2)21-48(56(83)75-50(27-39-31-69-46-16-11-10-15-43(39)46)55(82)70-30-38-24-40(60(62,63)64)28-41(25-38)61(65,66)67)76-58(85)51-17-12-19-77(51)59(86)47(18-20-87-6)74-57(84)49(26-37-13-8-7-9-14-37)73-52(79)32-71-53(80)36(5)72-54(81)45(68)29-44-34(3)22-42(78)23-35(44)4/h7-11,13-16,22-25,28,31,33,36,45,47-51,69,78H,12,17-21,26-27,29-30,32,68H2,1-6H3,(H,70,82)(H,71,80)(H,72,81)(H,73,79)(H,74,84)(H,75,83)(H,76,85)/t36-,45+,47+,48+,49+,50+,51+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50341317
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(OC)c(OC)c1 |r| Show InChI InChI=1S/C62H82N10O11/c1-9-10-20-48(69-60(79)50(29-40-17-12-11-13-18-40)68-55(74)35-66-56(75)39(6)67-57(76)46(63)32-45-37(4)27-43(73)28-38(45)5)62(81)72-25-16-22-52(72)61(80)71-49(26-36(2)3)59(78)70-51(31-42-34-64-47-21-15-14-19-44(42)47)58(77)65-33-41-23-24-53(82-7)54(30-41)83-8/h11-15,17-19,21,23-24,27-28,30,34,36,39,46,48-52,64,73H,9-10,16,20,22,25-26,29,31-33,35,63H2,1-8H3,(H,65,77)(H,66,75)(H,67,76)(H,68,74)(H,69,79)(H,70,78)(H,71,80)/t39-,46+,48+,49+,50+,51+,52+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50341314
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)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/C62H76F6N10O9/c1-7-8-18-48(75-58(85)50(27-38-15-10-9-11-16-38)74-53(80)33-72-54(81)37(6)73-55(82)46(69)30-45-35(4)23-43(79)24-36(45)5)60(87)78-21-14-20-52(78)59(86)77-49(22-34(2)3)57(84)76-51(28-40-32-70-47-19-13-12-17-44(40)47)56(83)71-31-39-25-41(61(63,64)65)29-42(26-39)62(66,67)68/h9-13,15-17,19,23-26,29,32,34,37,46,48-52,70,79H,7-8,14,18,20-22,27-28,30-31,33,69H2,1-6H3,(H,71,83)(H,72,81)(H,73,82)(H,74,80)(H,75,85)(H,76,84)(H,77,86)/t37-,46+,48+,49+,50+,51+,52+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | 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
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50341316
((S)-N-((S)-1-((S)-3-(1H-indol-3-yl)-1-oxo-1-(3-(tr...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C61H77F3N10O9/c1-7-8-21-48(71-58(81)50(29-39-16-10-9-11-17-39)70-53(76)34-68-54(77)38(6)69-55(78)46(65)31-45-36(4)26-43(75)27-37(45)5)60(83)74-24-15-23-52(74)59(82)73-49(25-35(2)3)57(80)72-51(30-41-33-66-47-22-13-12-20-44(41)47)56(79)67-32-40-18-14-19-42(28-40)61(62,63)64/h9-14,16-20,22,26-28,33,35,38,46,48-52,66,75H,7-8,15,21,23-25,29-32,34,65H2,1-6H3,(H,67,79)(H,68,77)(H,69,78)(H,70,76)(H,71,81)(H,72,80)(H,73,82)/t38-,46+,48+,49+,50+,51+,52+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | 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
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50341317
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(OC)c(OC)c1 |r| Show InChI InChI=1S/C62H82N10O11/c1-9-10-20-48(69-60(79)50(29-40-17-12-11-13-18-40)68-55(74)35-66-56(75)39(6)67-57(76)46(63)32-45-37(4)27-43(73)28-38(45)5)62(81)72-25-16-22-52(72)61(80)71-49(26-36(2)3)59(78)70-51(31-42-34-64-47-21-15-14-19-44(42)47)58(77)65-33-41-23-24-53(82-7)54(30-41)83-8/h11-15,17-19,21,23-24,27-28,30,34,36,39,46,48-52,64,73H,9-10,16,20,22,25-26,29,31-33,35,63H2,1-8H3,(H,65,77)(H,66,75)(H,67,76)(H,68,74)(H,69,79)(H,70,78)(H,71,80)/t39-,46+,48+,49+,50+,51+,52+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50341315
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C63H78F6N10O9/c1-8-9-19-49(75-58(85)51(28-39-16-11-10-12-17-39)74-54(81)33-72-55(82)38(6)73-56(83)47(70)31-46-36(4)24-44(80)25-37(46)5)61(88)79-22-15-21-53(79)59(86)76-50(23-35(2)3)57(84)77-52(29-41-32-71-48-20-14-13-18-45(41)48)60(87)78(7)34-40-26-42(62(64,65)66)30-43(27-40)63(67,68)69/h10-14,16-18,20,24-27,30,32,35,38,47,49-53,71,80H,8-9,15,19,21-23,28-29,31,33-34,70H2,1-7H3,(H,72,82)(H,73,83)(H,74,81)(H,75,85)(H,76,86)(H,77,84)/t38-,47+,49+,50+,51+,52+,53+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50341318
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-15-(4-hyd...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)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/C61H74F6N10O9S/c1-33(2)21-48(56(83)75-50(27-39-31-69-46-16-11-10-15-43(39)46)55(82)70-30-38-24-40(60(62,63)64)28-41(25-38)61(65,66)67)76-58(85)51-17-12-19-77(51)59(86)47(18-20-87-6)74-57(84)49(26-37-13-8-7-9-14-37)73-52(79)32-71-53(80)36(5)72-54(81)45(68)29-44-34(3)22-42(78)23-35(44)4/h7-11,13-16,22-25,28,31,33,36,45,47-51,69,78H,12,17-21,26-27,29-30,32,68H2,1-6H3,(H,70,82)(H,71,80)(H,72,81)(H,73,79)(H,74,84)(H,75,83)(H,76,85)/t36-,45+,47+,48+,49+,50+,51+/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50341316
((S)-N-((S)-1-((S)-3-(1H-indol-3-yl)-1-oxo-1-(3-(tr...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C61H77F3N10O9/c1-7-8-21-48(71-58(81)50(29-39-16-10-9-11-17-39)70-53(76)34-68-54(77)38(6)69-55(78)46(65)31-45-36(4)26-43(75)27-37(45)5)60(83)74-24-15-23-52(74)59(82)73-49(25-35(2)3)57(80)72-51(30-41-33-66-47-22-13-12-20-44(41)47)56(79)67-32-40-18-14-19-42(28-40)61(62,63)64/h9-14,16-20,22,26-28,33,35,38,46,48-52,66,75H,7-8,15,21,23-25,29-32,34,65H2,1-6H3,(H,67,79)(H,68,77)(H,69,78)(H,70,76)(H,71,81)(H,72,80)(H,73,82)/t38-,46+,48+,49+,50+,51+,52+/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50341317
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(OC)c(OC)c1 |r| Show InChI InChI=1S/C62H82N10O11/c1-9-10-20-48(69-60(79)50(29-40-17-12-11-13-18-40)68-55(74)35-66-56(75)39(6)67-57(76)46(63)32-45-37(4)27-43(73)28-38(45)5)62(81)72-25-16-22-52(72)61(80)71-49(26-36(2)3)59(78)70-51(31-42-34-64-47-21-15-14-19-44(42)47)58(77)65-33-41-23-24-53(82-7)54(30-41)83-8/h11-15,17-19,21,23-24,27-28,30,34,36,39,46,48-52,64,73H,9-10,16,20,22,25-26,29,31-33,35,63H2,1-8H3,(H,65,77)(H,66,75)(H,67,76)(H,68,74)(H,69,79)(H,70,78)(H,71,80)/t39-,46+,48+,49+,50+,51+,52+/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50341314
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)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/C62H76F6N10O9/c1-7-8-18-48(75-58(85)50(27-38-15-10-9-11-16-38)74-53(80)33-72-54(81)37(6)73-55(82)46(69)30-45-35(4)23-43(79)24-36(45)5)60(87)78-21-14-20-52(78)59(86)77-49(22-34(2)3)57(84)76-51(28-40-32-70-47-19-13-12-17-44(40)47)56(83)71-31-39-25-41(61(63,64)65)29-42(26-39)62(66,67)68/h9-13,15-17,19,23-26,29,32,34,37,46,48-52,70,79H,7-8,14,18,20-22,27-28,30-31,33,69H2,1-6H3,(H,71,83)(H,72,81)(H,73,82)(H,74,80)(H,75,85)(H,76,84)(H,77,86)/t37-,46+,48+,49+,50+,51+,52+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | 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 expressed in mouse HN9.10 cells |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50341314
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)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/C62H76F6N10O9/c1-7-8-18-48(75-58(85)50(27-38-15-10-9-11-16-38)74-53(80)33-72-54(81)37(6)73-55(82)46(69)30-45-35(4)23-43(79)24-36(45)5)60(87)78-21-14-20-52(78)59(86)77-49(22-34(2)3)57(84)76-51(28-40-32-70-47-19-13-12-17-44(40)47)56(83)71-31-39-25-41(61(63,64)65)29-42(26-39)62(66,67)68/h9-13,15-17,19,23-26,29,32,34,37,46,48-52,70,79H,7-8,14,18,20-22,27-28,30-31,33,69H2,1-6H3,(H,71,83)(H,72,81)(H,73,82)(H,74,80)(H,75,85)(H,76,84)(H,77,86)/t37-,46+,48+,49+,50+,51+,52+/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50341315
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C63H78F6N10O9/c1-8-9-19-49(75-58(85)51(28-39-16-11-10-12-17-39)74-54(81)33-72-55(82)38(6)73-56(83)47(70)31-46-36(4)24-44(80)25-37(46)5)61(88)79-22-15-21-53(79)59(86)76-50(23-35(2)3)57(84)77-52(29-41-32-71-48-20-14-13-18-45(41)48)60(87)78(7)34-40-26-42(62(64,65)66)30-43(27-40)63(67,68)69/h10-14,16-18,20,24-27,30,32,35,38,47,49-53,71,80H,8-9,15,19,21-23,28-29,31,33-34,70H2,1-7H3,(H,72,82)(H,73,83)(H,74,81)(H,75,85)(H,76,86)(H,77,84)/t38-,47+,49+,50+,51+,52+,53+/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction |
J Med Chem 54: 2029-38 (2011)
Article DOI: 10.1021/jm101023r
BindingDB Entry DOI: 10.7270/Q2862GRK |
More data for this
Ligand-Target Pair | |
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