Found 59 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50070377
(CHEMBL3408519)Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(=O)N(C)Cc2ccccc2)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C38H50N8O5/c1-24-18-29(47)19-25(2)30(24)21-31(39)35(49)43-32(14-9-16-42-38(40)41)36(50)44-33-20-27-12-7-8-13-28(27)23-46(37(33)51)17-15-34(48)45(3)22-26-10-5-4-6-11-26/h4-8,10-13,18-19,31-33,47H,9,14-17,20-23,39H2,1-3H3,(H,43,49)(H,44,50)(H4,40,41,42)/t31-,32+,33-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 2 hrs |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50155796
(CHEMBL3781680)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)CC(N)=O |r| Show InChI InChI=1S/C33H51N9O5/c1-20-15-24(43)16-21(2)25(20)19-26(35)30(45)41-27(12-8-14-39-33(37)38)31(46)42-28(17-22-9-4-3-5-10-22)32(47)40-23(18-29(36)44)11-6-7-13-34/h3-5,9-10,15-16,23,26-28,43H,6-8,11-14,17-19,34-35H2,1-2H3,(H2,36,44)(H,40,47)(H,41,45)(H,42,46)(H4,37,38,39)/t23-,26-,27+,28-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.187 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 2 hrs |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50070377
(CHEMBL3408519)Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(=O)N(C)Cc2ccccc2)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C38H50N8O5/c1-24-18-29(47)19-25(2)30(24)21-31(39)35(49)43-32(14-9-16-42-38(40)41)36(50)44-33-20-27-12-7-8-13-28(27)23-46(37(33)51)17-15-34(48)45(3)22-26-10-5-4-6-11-26/h4-8,10-13,18-19,31-33,47H,9,14-17,20-23,39H2,1-3H3,(H,43,49)(H,44,50)(H4,40,41,42)/t31-,32+,33-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane after 2 hrs |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50346329
((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)Show SMILES [#6]-[#7](-[#6]-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-[#6](=O)-[#6]-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2c(-[#6])cc(-[#8])cc2-[#6])-[#6]-1=O |r| Show InChI InChI=1S/C39H46F6N8O5/c1-21-11-28(54)12-22(2)29(21)17-30(46)34(56)50-31(9-6-10-49-37(47)48)35(57)51-32-15-24-7-4-5-8-25(24)19-53(36(32)58)20-33(55)52(3)18-23-13-26(38(40,41)42)16-27(14-23)39(43,44)45/h4-5,7-8,11-14,16,30-32,54H,6,9-10,15,17-20,46H2,1-3H3,(H,50,56)(H,51,57)(H4,47,48,49)/t30-,31+,32-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 2 hrs |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50346329
((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)Show SMILES [#6]-[#7](-[#6]-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-[#6](=O)-[#6]-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2c(-[#6])cc(-[#8])cc2-[#6])-[#6]-1=O |r| Show InChI InChI=1S/C39H46F6N8O5/c1-21-11-28(54)12-22(2)29(21)17-30(46)34(56)50-31(9-6-10-49-37(47)48)35(57)51-32-15-24-7-4-5-8-25(24)19-53(36(32)58)20-33(55)52(3)18-23-13-26(38(40,41)42)16-27(14-23)39(43,44)45/h4-5,7-8,11-14,16,30-32,54H,6,9-10,15,17-20,46H2,1-3H3,(H,50,56)(H,51,57)(H4,47,48,49)/t30-,31+,32-/m0/s1 | PDB
MMDB
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 |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor transfected in CHO cells by liquid scintillation counting method |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50010483
(CHEMBL2181202)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-24(34)29(44)40-26(12-8-14-38-32(36)37)30(45)41-27(17-21-9-4-3-5-10-21)31(46)39-25(28(35)43)11-6-7-13-33/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,44)(H,41,45)(H4,36,37,38)/t24-,25-,26+,27-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 2 hrs |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50155774
(CHEMBL3780776)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCN(CC1)[C@@H]1CCN(C[C@@H]1c1ccccc1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H71F6N11O6/c1-34-26-41(74)27-35(2)42(34)32-44(64)49(75)68-45(17-11-20-67-54(65)66)50(76)70-47(28-36-12-5-3-6-13-36)51(77)69-46(16-9-10-19-63)53(79)72-24-22-71(23-25-72)48-18-21-73(33-43(48)37-14-7-4-8-15-37)52(78)38-29-39(55(57,58)59)31-40(30-38)56(60,61)62/h3-8,12-15,26-27,29-31,43-48,74H,9-11,16-25,28,32-33,63-64H2,1-2H3,(H,68,75)(H,69,77)(H,70,76)(H4,65,66,67)/t43-,44+,45-,46+,47+,48-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.990 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor transfected in CHO cells by liquid scintillation counting method |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50155794
(CHEMBL3780820)Show SMILES CN([C@@H]1CCN(C[C@@H]1c1ccccc1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C53H66F6N10O6/c1-31-23-38(70)24-32(2)39(31)29-41(61)46(71)65-42(18-12-21-64-51(62)63)47(72)67-44(25-33-13-6-4-7-14-33)48(73)66-43(17-10-11-20-60)50(75)68(3)45-19-22-69(30-40(45)34-15-8-5-9-16-34)49(74)35-26-36(52(54,55)56)28-37(27-35)53(57,58)59/h4-9,13-16,23-24,26-28,40-45,70H,10-12,17-22,25,29-30,60-61H2,1-3H3,(H,65,71)(H,66,73)(H,67,72)(H4,62,63,64)/t40-,41+,42-,43+,44+,45-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor transfected in CHO cells by liquid scintillation counting method |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50155798
(CHEMBL3781519)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N2CCN(CC2)[C@@H]2CCN(C[C@@H]2c2ccccc2)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C54H64F6N10O6/c1-32-23-40(71)24-33(2)41(32)29-43(61)48(73)65-44(13-8-16-64-52(62)63)49(74)66-45-27-35-11-6-7-12-36(35)30-69(51(45)76)18-15-47(72)68-21-19-67(20-22-68)46-14-17-70(31-42(46)34-9-4-3-5-10-34)50(75)37-25-38(53(55,56)57)28-39(26-37)54(58,59)60/h3-7,9-12,23-26,28,42-46,71H,8,13-22,27,29-31,61H2,1-2H3,(H,65,73)(H,66,74)(H4,62,63,64)/t42-,43+,44-,45+,46-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
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 |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 2 hrs |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50155795
(CHEMBL3780408)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C54H68F6N10O6/c1-32-23-39(71)24-33(2)41(32)29-43(62)47(72)66-44(18-12-21-65-52(63)64)48(73)68-46(27-34-13-6-4-7-14-34)49(74)67-45(17-10-11-20-61)51(76)70-22-19-40(42(31-70)36-15-8-5-9-16-36)50(75)69(3)30-35-25-37(53(55,56)57)28-38(26-35)54(58,59)60/h4-9,13-16,23-26,28,40,42-46,71H,10-12,17-22,27,29-31,61-62H2,1-3H3,(H,66,72)(H,67,74)(H,68,73)(H4,63,64,65)/t40-,42+,43+,44-,45+,46+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor transfected in CHO cells by liquid scintillation counting method |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50155798
(CHEMBL3781519)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N2CCN(CC2)[C@@H]2CCN(C[C@@H]2c2ccccc2)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C54H64F6N10O6/c1-32-23-40(71)24-33(2)41(32)29-43(61)48(73)65-44(13-8-16-64-52(62)63)49(74)66-45-27-35-11-6-7-12-36(35)30-69(51(45)76)18-15-47(72)68-21-19-67(20-22-68)46-14-17-70(31-42(46)34-9-4-3-5-10-34)50(75)37-25-38(53(55,56)57)28-39(26-37)54(58,59)60/h3-7,9-12,23-26,28,42-46,71H,8,13-22,27,29-31,61H2,1-2H3,(H,65,73)(H,66,74)(H4,62,63,64)/t42-,43+,44-,45+,46-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor transfected in CHO cells by liquid scintillation counting method |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50155799
(CHEMBL3781336)Show SMILES CN([C@@H]1CCN(C[C@@H]1c1ccccc1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O |r| Show InChI InChI=1S/C51H59F6N9O6/c1-29-20-37(67)21-30(2)38(29)26-40(58)45(69)62-41(14-9-17-61-49(59)60)46(70)63-42-24-32-12-7-8-13-33(32)27-65(48(42)72)19-16-44(68)64(3)43-15-18-66(28-39(43)31-10-5-4-6-11-31)47(71)34-22-35(50(52,53)54)25-36(23-34)51(55,56)57/h4-8,10-13,20-23,25,39-43,67H,9,14-19,24,26-28,58H2,1-3H3,(H,62,69)(H,63,70)(H4,59,60,61)/t39-,40+,41-,42+,43-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor transfected in CHO cells by liquid scintillation counting method |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50155799
(CHEMBL3781336)Show SMILES CN([C@@H]1CCN(C[C@@H]1c1ccccc1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O |r| Show InChI InChI=1S/C51H59F6N9O6/c1-29-20-37(67)21-30(2)38(29)26-40(58)45(69)62-41(14-9-17-61-49(59)60)46(70)63-42-24-32-12-7-8-13-33(32)27-65(48(42)72)19-16-44(68)64(3)43-15-18-66(28-39(43)31-10-5-4-6-11-31)47(71)34-22-35(50(52,53)54)25-36(23-34)51(55,56)57/h4-8,10-13,20-23,25,39-43,67H,9,14-19,24,26-28,58H2,1-3H3,(H,62,69)(H,63,70)(H4,59,60,61)/t39-,40+,41-,42+,43-/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 |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 2 hrs |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50155800
(CHEMBL3780686)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O |r| Show InChI InChI=1S/C52H61F6N9O6/c1-30-20-38(68)21-31(2)40(30)26-42(59)46(70)63-43(14-9-17-62-50(60)61)47(71)64-44-24-34-12-7-8-13-35(34)28-67(49(44)73)19-16-45(69)66-18-15-39(41(29-66)33-10-5-4-6-11-33)48(72)65(3)27-32-22-36(51(53,54)55)25-37(23-32)52(56,57)58/h4-8,10-13,20-23,25,39,41-44,68H,9,14-19,24,26-29,59H2,1-3H3,(H,63,70)(H,64,71)(H4,60,61,62)/t39-,41+,42+,43-,44+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor transfected in CHO cells by liquid scintillation counting method |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50155797
(CHEMBL3780818)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(=O)C[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C55H70F6N10O6/c1-33-23-41(72)24-34(2)43(33)30-45(63)49(74)68-46(18-12-21-66-53(64)65)50(75)69-47(27-35-13-6-4-7-14-35)51(76)67-40(17-10-11-20-62)29-48(73)71-22-19-42(44(32-71)37-15-8-5-9-16-37)52(77)70(3)31-36-25-38(54(56,57)58)28-39(26-36)55(59,60)61/h4-9,13-16,23-26,28,40,42,44-47,72H,10-12,17-22,27,29-32,62-63H2,1-3H3,(H,67,76)(H,68,74)(H,69,75)(H4,64,65,66)/t40-,42+,44-,45-,46+,47-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor transfected in CHO cells by liquid scintillation counting method |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50155800
(CHEMBL3780686)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O |r| Show InChI InChI=1S/C52H61F6N9O6/c1-30-20-38(68)21-31(2)40(30)26-42(59)46(70)63-43(14-9-17-62-50(60)61)47(71)64-44-24-34-12-7-8-13-35(34)28-67(49(44)73)19-16-45(69)66-18-15-39(41(29-66)33-10-5-4-6-11-33)48(72)65(3)27-32-22-36(51(53,54)55)25-37(23-32)52(56,57)58/h4-8,10-13,20-23,25,39,41-44,68H,9,14-19,24,26-29,59H2,1-3H3,(H,63,70)(H,64,71)(H4,60,61,62)/t39-,41+,42+,43-,44+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 2 hrs |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50070377
(CHEMBL3408519)Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(=O)N(C)Cc2ccccc2)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C38H50N8O5/c1-24-18-29(47)19-25(2)30(24)21-31(39)35(49)43-32(14-9-16-42-38(40)41)36(50)44-33-20-27-12-7-8-13-28(27)23-46(37(33)51)17-15-34(48)45(3)22-26-10-5-4-6-11-26/h4-8,10-13,18-19,31-33,47H,9,14-17,20-23,39H2,1-3H3,(H,43,49)(H,44,50)(H4,40,41,42)/t31-,32+,33-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Antagonist activity against human NK1 receptor expressed in CHO-K1 cells by aequorin luminescence assay based Schild's plot analysis |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50155800
(CHEMBL3780686)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O |r| Show InChI InChI=1S/C52H61F6N9O6/c1-30-20-38(68)21-31(2)40(30)26-42(59)46(70)63-43(14-9-17-62-50(60)61)47(71)64-44-24-34-12-7-8-13-35(34)28-67(49(44)73)19-16-45(69)66-18-15-39(41(29-66)33-10-5-4-6-11-33)48(72)65(3)27-32-22-36(51(53,54)55)25-37(23-32)52(56,57)58/h4-8,10-13,20-23,25,39,41-44,68H,9,14-19,24,26-29,59H2,1-3H3,(H,63,70)(H,64,71)(H4,60,61,62)/t39-,41+,42+,43-,44+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Antagonist activity against human NK1 receptor expressed in CHO-K1 cells by aequorin luminescence assay based Schild's plot analysis |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50155800
(CHEMBL3780686)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O |r| Show InChI InChI=1S/C52H61F6N9O6/c1-30-20-38(68)21-31(2)40(30)26-42(59)46(70)63-43(14-9-17-62-50(60)61)47(71)64-44-24-34-12-7-8-13-35(34)28-67(49(44)73)19-16-45(69)66-18-15-39(41(29-66)33-10-5-4-6-11-33)48(72)65(3)27-32-22-36(51(53,54)55)25-37(23-32)52(56,57)58/h4-8,10-13,20-23,25,39,41-44,68H,9,14-19,24,26-29,59H2,1-3H3,(H,63,70)(H,64,71)(H4,60,61,62)/t39-,41+,42+,43-,44+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane after 2 hrs |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50155799
(CHEMBL3781336)Show SMILES CN([C@@H]1CCN(C[C@@H]1c1ccccc1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O |r| Show InChI InChI=1S/C51H59F6N9O6/c1-29-20-37(67)21-30(2)38(29)26-40(58)45(69)62-41(14-9-17-61-49(59)60)46(70)63-42-24-32-12-7-8-13-33(32)27-65(48(42)72)19-16-44(68)64(3)43-15-18-66(28-39(43)31-10-5-4-6-11-31)47(71)34-22-35(50(52,53)54)25-36(23-34)51(55,56)57/h4-8,10-13,20-23,25,39-43,67H,9,14-19,24,26-28,58H2,1-3H3,(H,62,69)(H,63,70)(H4,59,60,61)/t39-,40+,41-,42+,43-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Antagonist activity against human NK1 receptor expressed in CHO-K1 cells by aequorin luminescence assay based Schild's plot analysis |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50346329
((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)Show SMILES [#6]-[#7](-[#6]-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-[#6](=O)-[#6]-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2c(-[#6])cc(-[#8])cc2-[#6])-[#6]-1=O |r| Show InChI InChI=1S/C39H46F6N8O5/c1-21-11-28(54)12-22(2)29(21)17-30(46)34(56)50-31(9-6-10-49-37(47)48)35(57)51-32-15-24-7-4-5-8-25(24)19-53(36(32)58)20-33(55)52(3)18-23-13-26(38(40,41)42)16-27(14-23)39(43,44)45/h4-5,7-8,11-14,16,30-32,54H,6,9-10,15,17-20,46H2,1-3H3,(H,50,56)(H,51,57)(H4,47,48,49)/t30-,31+,32-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Antagonist activity against human NK1 receptor expressed in CHO-K1 cells by aequorin luminescence assay based Schild's plot analysis |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50155798
(CHEMBL3781519)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N2CCN(CC2)[C@@H]2CCN(C[C@@H]2c2ccccc2)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C54H64F6N10O6/c1-32-23-40(71)24-33(2)41(32)29-43(61)48(73)65-44(13-8-16-64-52(62)63)49(74)66-45-27-35-11-6-7-12-36(35)30-69(51(45)76)18-15-47(72)68-21-19-67(20-22-68)46-14-17-70(31-42(46)34-9-4-3-5-10-34)50(75)37-25-38(53(55,56)57)28-39(26-37)54(58,59)60/h3-7,9-12,23-26,28,42-46,71H,8,13-22,27,29-31,61H2,1-2H3,(H,65,73)(H,66,74)(H4,62,63,64)/t42-,43+,44-,45+,46-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Antagonist activity against human NK1 receptor expressed in CHO-K1 cells by aequorin luminescence assay based Schild's plot analysis |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50155797
(CHEMBL3780818)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(=O)C[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C55H70F6N10O6/c1-33-23-41(72)24-34(2)43(33)30-45(63)49(74)68-46(18-12-21-66-53(64)65)50(75)69-47(27-35-13-6-4-7-14-35)51(76)67-40(17-10-11-20-62)29-48(73)71-22-19-42(44(32-71)37-15-8-5-9-16-37)52(77)70(3)31-36-25-38(54(56,57)58)28-39(26-36)55(59,60)61/h4-9,13-16,23-26,28,40,42,44-47,72H,10-12,17-22,27,29-32,62-63H2,1-3H3,(H,67,76)(H,68,74)(H,69,75)(H4,64,65,66)/t40-,42+,44-,45-,46+,47-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Antagonist activity against human NK1 receptor expressed in CHO-K1 cells by aequorin luminescence assay based Schild's plot analysis |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50155774
(CHEMBL3780776)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCN(CC1)[C@@H]1CCN(C[C@@H]1c1ccccc1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H71F6N11O6/c1-34-26-41(74)27-35(2)42(34)32-44(64)49(75)68-45(17-11-20-67-54(65)66)50(76)70-47(28-36-12-5-3-6-13-36)51(77)69-46(16-9-10-19-63)53(79)72-24-22-71(23-25-72)48-18-21-73(33-43(48)37-14-7-4-8-15-37)52(78)38-29-39(55(57,58)59)31-40(30-38)56(60,61)62/h3-8,12-15,26-27,29-31,43-48,74H,9-11,16-25,28,32-33,63-64H2,1-2H3,(H,68,75)(H,69,77)(H,70,76)(H4,65,66,67)/t43-,44+,45-,46+,47+,48-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 2 hrs |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50346329
((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)Show SMILES [#6]-[#7](-[#6]-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-[#6](=O)-[#6]-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2c(-[#6])cc(-[#8])cc2-[#6])-[#6]-1=O |r| Show InChI InChI=1S/C39H46F6N8O5/c1-21-11-28(54)12-22(2)29(21)17-30(46)34(56)50-31(9-6-10-49-37(47)48)35(57)51-32-15-24-7-4-5-8-25(24)19-53(36(32)58)20-33(55)52(3)18-23-13-26(38(40,41)42)16-27(14-23)39(43,44)45/h4-5,7-8,11-14,16,30-32,54H,6,9-10,15,17-20,46H2,1-3H3,(H,50,56)(H,51,57)(H4,47,48,49)/t30-,31+,32-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane after 2 hrs |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50155799
(CHEMBL3781336)Show SMILES CN([C@@H]1CCN(C[C@@H]1c1ccccc1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O |r| Show InChI InChI=1S/C51H59F6N9O6/c1-29-20-37(67)21-30(2)38(29)26-40(58)45(69)62-41(14-9-17-61-49(59)60)46(70)63-42-24-32-12-7-8-13-33(32)27-65(48(42)72)19-16-44(68)64(3)43-15-18-66(28-39(43)31-10-5-4-6-11-31)47(71)34-22-35(50(52,53)54)25-36(23-34)51(55,56)57/h4-8,10-13,20-23,25,39-43,67H,9,14-19,24,26-28,58H2,1-3H3,(H,62,69)(H,63,70)(H4,59,60,61)/t39-,40+,41-,42+,43-/m1/s1 | PDB
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 |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane after 2 hrs |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50155798
(CHEMBL3781519)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N2CCN(CC2)[C@@H]2CCN(C[C@@H]2c2ccccc2)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C54H64F6N10O6/c1-32-23-40(71)24-33(2)41(32)29-43(61)48(73)65-44(13-8-16-64-52(62)63)49(74)66-45-27-35-11-6-7-12-36(35)30-69(51(45)76)18-15-47(72)68-21-19-67(20-22-68)46-14-17-70(31-42(46)34-9-4-3-5-10-34)50(75)37-25-38(53(55,56)57)28-39(26-37)54(58,59)60/h3-7,9-12,23-26,28,42-46,71H,8,13-22,27,29-31,61H2,1-2H3,(H,65,73)(H,66,74)(H4,62,63,64)/t42-,43+,44-,45+,46-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane after 2 hrs |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50070377
(CHEMBL3408519)Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(=O)N(C)Cc2ccccc2)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C38H50N8O5/c1-24-18-29(47)19-25(2)30(24)21-31(39)35(49)43-32(14-9-16-42-38(40)41)36(50)44-33-20-27-12-7-8-13-28(27)23-46(37(33)51)17-15-34(48)45(3)22-26-10-5-4-6-11-26/h4-8,10-13,18-19,31-33,47H,9,14-17,20-23,39H2,1-3H3,(H,43,49)(H,44,50)(H4,40,41,42)/t31-,32+,33-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]SP from human NK1 receptor transfected in CHO cells by liquid scintillation counting method |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50155797
(CHEMBL3780818)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(=O)C[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C55H70F6N10O6/c1-33-23-41(72)24-34(2)43(33)30-45(63)49(74)68-46(18-12-21-66-53(64)65)50(75)69-47(27-35-13-6-4-7-14-35)51(76)67-40(17-10-11-20-62)29-48(73)71-22-19-42(44(32-71)37-15-8-5-9-16-37)52(77)70(3)31-36-25-38(54(56,57)58)28-39(26-36)55(59,60)61/h4-9,13-16,23-26,28,40,42,44-47,72H,10-12,17-22,27,29-32,62-63H2,1-3H3,(H,67,76)(H,68,74)(H,69,75)(H4,64,65,66)/t40-,42+,44-,45-,46+,47-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 2 hrs |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50155795
(CHEMBL3780408)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C54H68F6N10O6/c1-32-23-39(71)24-33(2)41(32)29-43(62)47(72)66-44(18-12-21-65-52(63)64)48(73)68-46(27-34-13-6-4-7-14-34)49(74)67-45(17-10-11-20-61)51(76)70-22-19-40(42(31-70)36-15-8-5-9-16-36)50(75)69(3)30-35-25-37(53(55,56)57)28-38(26-35)54(58,59)60/h4-9,13-16,23-26,28,40,42-46,71H,10-12,17-22,27,29-31,61-62H2,1-3H3,(H,66,72)(H,67,74)(H,68,73)(H4,63,64,65)/t40-,42+,43+,44-,45+,46+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 2 hrs |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50155794
(CHEMBL3780820)Show SMILES CN([C@@H]1CCN(C[C@@H]1c1ccccc1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C53H66F6N10O6/c1-31-23-38(70)24-32(2)39(31)29-41(61)46(71)65-42(18-12-21-64-51(62)63)47(72)67-44(25-33-13-6-4-7-14-33)48(73)66-43(17-10-11-20-60)50(75)68(3)45-19-22-69(30-40(45)34-15-8-5-9-16-34)49(74)35-26-36(52(54,55)56)28-37(27-35)53(57,58)59/h4-9,13-16,23-24,26-28,40-45,70H,10-12,17-22,25,29-30,60-61H2,1-3H3,(H,65,71)(H,66,73)(H,67,72)(H4,62,63,64)/t40-,41+,42-,43+,44+,45-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 2 hrs |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50155796
(CHEMBL3781680)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)CC(N)=O |r| Show InChI InChI=1S/C33H51N9O5/c1-20-15-24(43)16-21(2)25(20)19-26(35)30(45)41-27(12-8-14-39-33(37)38)31(46)42-28(17-22-9-4-3-5-10-22)32(47)40-23(18-29(36)44)11-6-7-13-34/h3-5,9-10,15-16,23,26-28,43H,6-8,11-14,17-19,34-35H2,1-2H3,(H2,36,44)(H,40,47)(H,41,45)(H,42,46)(H4,37,38,39)/t23-,26-,27+,28-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane after 2 hrs |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50155795
(CHEMBL3780408)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C54H68F6N10O6/c1-32-23-39(71)24-33(2)41(32)29-43(62)47(72)66-44(18-12-21-65-52(63)64)48(73)68-46(27-34-13-6-4-7-14-34)49(74)67-45(17-10-11-20-61)51(76)70-22-19-40(42(31-70)36-15-8-5-9-16-36)50(75)69(3)30-35-25-37(53(55,56)57)28-38(26-35)54(58,59)60/h4-9,13-16,23-26,28,40,42-46,71H,10-12,17-22,27,29-31,61-62H2,1-3H3,(H,66,72)(H,67,74)(H,68,73)(H4,63,64,65)/t40-,42+,43+,44-,45+,46+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 339 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane after 2 hrs |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50155774
(CHEMBL3780776)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCN(CC1)[C@@H]1CCN(C[C@@H]1c1ccccc1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H71F6N11O6/c1-34-26-41(74)27-35(2)42(34)32-44(64)49(75)68-45(17-11-20-67-54(65)66)50(76)70-47(28-36-12-5-3-6-13-36)51(77)69-46(16-9-10-19-63)53(79)72-24-22-71(23-25-72)48-18-21-73(33-43(48)37-14-7-4-8-15-37)52(78)38-29-39(55(57,58)59)31-40(30-38)56(60,61)62/h3-8,12-15,26-27,29-31,43-48,74H,9-11,16-25,28,32-33,63-64H2,1-2H3,(H,68,75)(H,69,77)(H,70,76)(H4,65,66,67)/t43-,44+,45-,46+,47+,48-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 533 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane after 2 hrs |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50010483
(CHEMBL2181202)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-24(34)29(44)40-26(12-8-14-38-32(36)37)30(45)41-27(17-21-9-4-3-5-10-21)31(46)39-25(28(35)43)11-6-7-13-33/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,44)(H,41,45)(H4,36,37,38)/t24-,25-,26+,27-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 877 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane after 2 hrs |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50155797
(CHEMBL3780818)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(=O)C[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C55H70F6N10O6/c1-33-23-41(72)24-34(2)43(33)30-45(63)49(74)68-46(18-12-21-66-53(64)65)50(75)69-47(27-35-13-6-4-7-14-35)51(76)67-40(17-10-11-20-62)29-48(73)71-22-19-42(44(32-71)37-15-8-5-9-16-37)52(77)70(3)31-36-25-38(54(56,57)58)28-39(26-36)55(59,60)61/h4-9,13-16,23-26,28,40,42,44-47,72H,10-12,17-22,27,29-32,62-63H2,1-3H3,(H,67,76)(H,68,74)(H,69,75)(H4,64,65,66)/t40-,42+,44-,45-,46+,47-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane after 2 hrs |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50155794
(CHEMBL3780820)Show SMILES CN([C@@H]1CCN(C[C@@H]1c1ccccc1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C53H66F6N10O6/c1-31-23-38(70)24-32(2)39(31)29-41(61)46(71)65-42(18-12-21-64-51(62)63)47(72)67-44(25-33-13-6-4-7-14-33)48(73)66-43(17-10-11-20-60)50(75)68(3)45-19-22-69(30-40(45)34-15-8-5-9-16-34)49(74)35-26-36(52(54,55)56)28-37(27-35)53(57,58)59/h4-9,13-16,23-24,26-28,40-45,70H,10-12,17-22,25,29-30,60-61H2,1-3H3,(H,65,71)(H,66,73)(H,67,72)(H4,62,63,64)/t40-,41+,42-,43+,44+,45-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane after 2 hrs |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50010483
(CHEMBL2181202)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-24(34)29(44)40-26(12-8-14-38-32(36)37)30(45)41-27(17-21-9-4-3-5-10-21)31(46)39-25(28(35)43)11-6-7-13-33/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,44)(H,41,45)(H4,36,37,38)/t24-,25-,26+,27-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50070377
(CHEMBL3408519)Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(=O)N(C)Cc2ccccc2)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C38H50N8O5/c1-24-18-29(47)19-25(2)30(24)21-31(39)35(49)43-32(14-9-16-42-38(40)41)36(50)44-33-20-27-12-7-8-13-28(27)23-46(37(33)51)17-15-34(48)45(3)22-26-10-5-4-6-11-26/h4-8,10-13,18-19,31-33,47H,9,14-17,20-23,39H2,1-3H3,(H,43,49)(H,44,50)(H4,40,41,42)/t31-,32+,33-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50070377
(CHEMBL3408519)Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(=O)N(C)Cc2ccccc2)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C38H50N8O5/c1-24-18-29(47)19-25(2)30(24)21-31(39)35(49)43-32(14-9-16-42-38(40)41)36(50)44-33-20-27-12-7-8-13-28(27)23-46(37(33)51)17-15-34(48)45(3)22-26-10-5-4-6-11-26/h4-8,10-13,18-19,31-33,47H,9,14-17,20-23,39H2,1-3H3,(H,43,49)(H,44,50)(H4,40,41,42)/t31-,32+,33-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50155796
(CHEMBL3781680)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)CC(N)=O |r| Show InChI InChI=1S/C33H51N9O5/c1-20-15-24(43)16-21(2)25(20)19-26(35)30(45)41-27(12-8-14-39-33(37)38)31(46)42-28(17-22-9-4-3-5-10-22)32(47)40-23(18-29(36)44)11-6-7-13-34/h3-5,9-10,15-16,23,26-28,43H,6-8,11-14,17-19,34-35H2,1-2H3,(H2,36,44)(H,40,47)(H,41,45)(H,42,46)(H4,37,38,39)/t23-,26-,27+,28-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50155796
(CHEMBL3781680)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)CC(N)=O |r| Show InChI InChI=1S/C33H51N9O5/c1-20-15-24(43)16-21(2)25(20)19-26(35)30(45)41-27(12-8-14-39-33(37)38)31(46)42-28(17-22-9-4-3-5-10-22)32(47)40-23(18-29(36)44)11-6-7-13-34/h3-5,9-10,15-16,23,26-28,43H,6-8,11-14,17-19,34-35H2,1-2H3,(H2,36,44)(H,40,47)(H,41,45)(H,42,46)(H4,37,38,39)/t23-,26-,27+,28-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50346329
((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)Show SMILES [#6]-[#7](-[#6]-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-[#6](=O)-[#6]-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2c(-[#6])cc(-[#8])cc2-[#6])-[#6]-1=O |r| Show InChI InChI=1S/C39H46F6N8O5/c1-21-11-28(54)12-22(2)29(21)17-30(46)34(56)50-31(9-6-10-49-37(47)48)35(57)51-32-15-24-7-4-5-8-25(24)19-53(36(32)58)20-33(55)52(3)18-23-13-26(38(40,41)42)16-27(14-23)39(43,44)45/h4-5,7-8,11-14,16,30-32,54H,6,9-10,15,17-20,46H2,1-3H3,(H,50,56)(H,51,57)(H4,47,48,49)/t30-,31+,32-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50155800
(CHEMBL3780686)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O |r| Show InChI InChI=1S/C52H61F6N9O6/c1-30-20-38(68)21-31(2)40(30)26-42(59)46(70)63-43(14-9-17-62-50(60)61)47(71)64-44-24-34-12-7-8-13-35(34)28-67(49(44)73)19-16-45(69)66-18-15-39(41(29-66)33-10-5-4-6-11-33)48(72)65(3)27-32-22-36(51(53,54)55)25-37(23-32)52(56,57)58/h4-8,10-13,20-23,25,39,41-44,68H,9,14-19,24,26-29,59H2,1-3H3,(H,63,70)(H,64,71)(H4,60,61,62)/t39-,41+,42+,43-,44+/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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50155799
(CHEMBL3781336)Show SMILES CN([C@@H]1CCN(C[C@@H]1c1ccccc1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O |r| Show InChI InChI=1S/C51H59F6N9O6/c1-29-20-37(67)21-30(2)38(29)26-40(58)45(69)62-41(14-9-17-61-49(59)60)46(70)63-42-24-32-12-7-8-13-33(32)27-65(48(42)72)19-16-44(68)64(3)43-15-18-66(28-39(43)31-10-5-4-6-11-31)47(71)34-22-35(50(52,53)54)25-36(23-34)51(55,56)57/h4-8,10-13,20-23,25,39-43,67H,9,14-19,24,26-28,58H2,1-3H3,(H,62,69)(H,63,70)(H4,59,60,61)/t39-,40+,41-,42+,43-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50155799
(CHEMBL3781336)Show SMILES CN([C@@H]1CCN(C[C@@H]1c1ccccc1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O |r| Show InChI InChI=1S/C51H59F6N9O6/c1-29-20-37(67)21-30(2)38(29)26-40(58)45(69)62-41(14-9-17-61-49(59)60)46(70)63-42-24-32-12-7-8-13-33(32)27-65(48(42)72)19-16-44(68)64(3)43-15-18-66(28-39(43)31-10-5-4-6-11-31)47(71)34-22-35(50(52,53)54)25-36(23-34)51(55,56)57/h4-8,10-13,20-23,25,39-43,67H,9,14-19,24,26-28,58H2,1-3H3,(H,62,69)(H,63,70)(H4,59,60,61)/t39-,40+,41-,42+,43-/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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50155798
(CHEMBL3781519)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N2CCN(CC2)[C@@H]2CCN(C[C@@H]2c2ccccc2)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C54H64F6N10O6/c1-32-23-40(71)24-33(2)41(32)29-43(61)48(73)65-44(13-8-16-64-52(62)63)49(74)66-45-27-35-11-6-7-12-36(35)30-69(51(45)76)18-15-47(72)68-21-19-67(20-22-68)46-14-17-70(31-42(46)34-9-4-3-5-10-34)50(75)37-25-38(53(55,56)57)28-39(26-37)54(58,59)60/h3-7,9-12,23-26,28,42-46,71H,8,13-22,27,29-31,61H2,1-2H3,(H,65,73)(H,66,74)(H4,62,63,64)/t42-,43+,44-,45+,46-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50155798
(CHEMBL3781519)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N2CCN(CC2)[C@@H]2CCN(C[C@@H]2c2ccccc2)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C54H64F6N10O6/c1-32-23-40(71)24-33(2)41(32)29-43(61)48(73)65-44(13-8-16-64-52(62)63)49(74)66-45-27-35-11-6-7-12-36(35)30-69(51(45)76)18-15-47(72)68-21-19-67(20-22-68)46-14-17-70(31-42(46)34-9-4-3-5-10-34)50(75)37-25-38(53(55,56)57)28-39(26-37)54(58,59)60/h3-7,9-12,23-26,28,42-46,71H,8,13-22,27,29-31,61H2,1-2H3,(H,65,73)(H,66,74)(H4,62,63,64)/t42-,43+,44-,45+,46-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50010483
(CHEMBL2181202)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-24(34)29(44)40-26(12-8-14-38-32(36)37)30(45)41-27(17-21-9-4-3-5-10-21)31(46)39-25(28(35)43)11-6-7-13-33/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,44)(H,41,45)(H4,36,37,38)/t24-,25-,26+,27-/m0/s1 | PDB
Reactome pathway
KEGG
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 |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50155800
(CHEMBL3780686)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O |r| Show InChI InChI=1S/C52H61F6N9O6/c1-30-20-38(68)21-31(2)40(30)26-42(59)46(70)63-43(14-9-17-62-50(60)61)47(71)64-44-24-34-12-7-8-13-35(34)28-67(49(44)73)19-16-45(69)66-18-15-39(41(29-66)33-10-5-4-6-11-33)48(72)65(3)27-32-22-36(51(53,54)55)25-37(23-32)52(56,57)58/h4-8,10-13,20-23,25,39,41-44,68H,9,14-19,24,26-29,59H2,1-3H3,(H,63,70)(H,64,71)(H4,60,61,62)/t39-,41+,42+,43-,44+/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50346329
((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)Show SMILES [#6]-[#7](-[#6]-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-[#6](=O)-[#6]-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2c(-[#6])cc(-[#8])cc2-[#6])-[#6]-1=O |r| Show InChI InChI=1S/C39H46F6N8O5/c1-21-11-28(54)12-22(2)29(21)17-30(46)34(56)50-31(9-6-10-49-37(47)48)35(57)51-32-15-24-7-4-5-8-25(24)19-53(36(32)58)20-33(55)52(3)18-23-13-26(38(40,41)42)16-27(14-23)39(43,44)45/h4-5,7-8,11-14,16,30-32,54H,6,9-10,15,17-20,46H2,1-3H3,(H,50,56)(H,51,57)(H4,47,48,49)/t30-,31+,32-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50155794
(CHEMBL3780820)Show SMILES CN([C@@H]1CCN(C[C@@H]1c1ccccc1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C53H66F6N10O6/c1-31-23-38(70)24-32(2)39(31)29-41(61)46(71)65-42(18-12-21-64-51(62)63)47(72)67-44(25-33-13-6-4-7-14-33)48(73)66-43(17-10-11-20-60)50(75)68(3)45-19-22-69(30-40(45)34-15-8-5-9-16-34)49(74)35-26-36(52(54,55)56)28-37(27-35)53(57,58)59/h4-9,13-16,23-24,26-28,40-45,70H,10-12,17-22,25,29-30,60-61H2,1-3H3,(H,65,71)(H,66,73)(H,67,72)(H4,62,63,64)/t40-,41+,42-,43+,44+,45-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50155774
(CHEMBL3780776)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCN(CC1)[C@@H]1CCN(C[C@@H]1c1ccccc1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H71F6N11O6/c1-34-26-41(74)27-35(2)42(34)32-44(64)49(75)68-45(17-11-20-67-54(65)66)50(76)70-47(28-36-12-5-3-6-13-36)51(77)69-46(16-9-10-19-63)53(79)72-24-22-71(23-25-72)48-18-21-73(33-43(48)37-14-7-4-8-15-37)52(78)38-29-39(55(57,58)59)31-40(30-38)56(60,61)62/h3-8,12-15,26-27,29-31,43-48,74H,9-11,16-25,28,32-33,63-64H2,1-2H3,(H,68,75)(H,69,77)(H,70,76)(H4,65,66,67)/t43-,44+,45-,46+,47+,48-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 137 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50155795
(CHEMBL3780408)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C54H68F6N10O6/c1-32-23-39(71)24-33(2)41(32)29-43(62)47(72)66-44(18-12-21-65-52(63)64)48(73)68-46(27-34-13-6-4-7-14-34)49(74)67-45(17-10-11-20-61)51(76)70-22-19-40(42(31-70)36-15-8-5-9-16-36)50(75)69(3)30-35-25-37(53(55,56)57)28-38(26-35)54(58,59)60/h4-9,13-16,23-26,28,40,42-46,71H,10-12,17-22,27,29-31,61-62H2,1-3H3,(H,66,72)(H,67,74)(H,68,73)(H4,63,64,65)/t40-,42+,43+,44-,45+,46+/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 | 349 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50155774
(CHEMBL3780776)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCN(CC1)[C@@H]1CCN(C[C@@H]1c1ccccc1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C56H71F6N11O6/c1-34-26-41(74)27-35(2)42(34)32-44(64)49(75)68-45(17-11-20-67-54(65)66)50(76)70-47(28-36-12-5-3-6-13-36)51(77)69-46(16-9-10-19-63)53(79)72-24-22-71(23-25-72)48-18-21-73(33-43(48)37-14-7-4-8-15-37)52(78)38-29-39(55(57,58)59)31-40(30-38)56(60,61)62/h3-8,12-15,26-27,29-31,43-48,74H,9-11,16-25,28,32-33,63-64H2,1-2H3,(H,68,75)(H,69,77)(H,70,76)(H4,65,66,67)/t43-,44+,45-,46+,47+,48-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 384 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50155797
(CHEMBL3780818)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(=O)C[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C55H70F6N10O6/c1-33-23-41(72)24-34(2)43(33)30-45(63)49(74)68-46(18-12-21-66-53(64)65)50(75)69-47(27-35-13-6-4-7-14-35)51(76)67-40(17-10-11-20-62)29-48(73)71-22-19-42(44(32-71)37-15-8-5-9-16-37)52(77)70(3)31-36-25-38(54(56,57)58)28-39(26-36)55(59,60)61/h4-9,13-16,23-26,28,40,42,44-47,72H,10-12,17-22,27,29-32,62-63H2,1-3H3,(H,67,76)(H,68,74)(H,69,75)(H4,64,65,66)/t40-,42+,44-,45-,46+,47-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 538 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50155795
(CHEMBL3780408)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C54H68F6N10O6/c1-32-23-39(71)24-33(2)41(32)29-43(62)47(72)66-44(18-12-21-65-52(63)64)48(73)68-46(27-34-13-6-4-7-14-34)49(74)67-45(17-10-11-20-61)51(76)70-22-19-40(42(31-70)36-15-8-5-9-16-36)50(75)69(3)30-35-25-37(53(55,56)57)28-38(26-35)54(58,59)60/h4-9,13-16,23-26,28,40,42-46,71H,10-12,17-22,27,29-31,61-62H2,1-3H3,(H,66,72)(H,67,74)(H,68,73)(H4,63,64,65)/t40-,42+,43+,44-,45+,46+/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 658 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50155794
(CHEMBL3780820)Show SMILES CN([C@@H]1CCN(C[C@@H]1c1ccccc1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C53H66F6N10O6/c1-31-23-38(70)24-32(2)39(31)29-41(61)46(71)65-42(18-12-21-64-51(62)63)47(72)67-44(25-33-13-6-4-7-14-33)48(73)66-43(17-10-11-20-60)50(75)68(3)45-19-22-69(30-40(45)34-15-8-5-9-16-34)49(74)35-26-36(52(54,55)56)28-37(27-35)53(57,58)59/h4-9,13-16,23-24,26-28,40-45,70H,10-12,17-22,25,29-30,60-61H2,1-3H3,(H,65,71)(H,66,73)(H,67,72)(H4,62,63,64)/t40-,41+,42-,43+,44+,45-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 814 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50155797
(CHEMBL3780818)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCN(C[C@H]1c1ccccc1)C(=O)C[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C55H70F6N10O6/c1-33-23-41(72)24-34(2)43(33)30-45(63)49(74)68-46(18-12-21-66-53(64)65)50(75)69-47(27-35-13-6-4-7-14-35)51(76)67-40(17-10-11-20-62)29-48(73)71-22-19-42(44(32-71)37-15-8-5-9-16-37)52(77)70(3)31-36-25-38(54(56,57)58)28-39(26-36)55(59,60)61/h4-9,13-16,23-26,28,40,42,44-47,72H,10-12,17-22,27,29-32,62-63H2,1-3H3,(H,67,76)(H,68,74)(H,69,75)(H4,64,65,66)/t40-,42+,44-,45-,46+,47-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction |
ACS Med Chem Lett 6: 1209-14 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00359
BindingDB Entry DOI: 10.7270/Q2VH5QQJ |
More data for this
Ligand-Target Pair | |
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