Found 738 hits with Last Name = 'saito' and Initial = 'm' 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 |
|---|
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50143784
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-2-butyl-7-[2-((...)Show SMILES CCCCc1ccc2[C@@H]([C@H]([C@@H](c2n1)c1ccc(OC)cc1C[C@H](C)C(O)=O)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C31H33NO7/c1-4-5-6-20-8-10-23-26(18-7-12-24-25(15-18)39-16-38-24)28(31(35)36)27(29(23)32-20)22-11-9-21(37-3)14-19(22)13-17(2)30(33)34/h7-12,14-15,17,26-28H,4-6,13,16H2,1-3H3,(H,33,34)(H,35,36)/t17-,26-,27-,28+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 289: 1262-70 (1999)
BindingDB Entry DOI: 10.7270/Q2Q52N5Q |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50391602
(CHEMBL2147915)Show SMILES CN1CC[C@]23Cc4nc5c(O)cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:18:28.22.21| Show InChI InChI=1S/C24H24N2O3/c1-26-8-7-23-13-19-16(9-15-3-2-4-20(28)22(15)25-19)12-24(23,29)21(26)10-14-5-6-17(27)11-18(14)23/h2-6,9,11,21,27-29H,7-8,10,12-13H2,1H3/t21-,23-,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0920 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum |
Bioorg Med Chem 20: 5810-31 (2012)
Article DOI: 10.1016/j.bmc.2012.08.004
BindingDB Entry DOI: 10.7270/Q2F190T5 |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50143784
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-2-butyl-7-[2-((...)Show SMILES CCCCc1ccc2[C@@H]([C@H]([C@@H](c2n1)c1ccc(OC)cc1C[C@H](C)C(O)=O)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C31H33NO7/c1-4-5-6-20-8-10-23-26(18-7-12-24-25(15-18)39-16-38-24)28(31(35)36)27(29(23)32-20)22-11-9-21(37-3)14-19(22)13-17(2)30(33)34/h7-12,14-15,17,26-28H,4-6,13,16H2,1-3H3,(H,33,34)(H,35,36)/t17-,26-,27-,28+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 289: 1262-70 (1999)
BindingDB Entry DOI: 10.7270/Q2Q52N5Q |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50329100
(CHEMBL1270475)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5nc6ccccc6cc5C[C@@]34O)c2c1 |r,THB:8:7:27:4.29.5| Show InChI InChI=1S/C27H28N2O2/c30-21-8-7-18-12-25-27(31)14-20-11-19-3-1-2-4-23(19)28-24(20)15-26(27,22(18)13-21)9-10-29(25)16-17-5-6-17/h1-4,7-8,11,13,17,25,30-31H,5-6,9-10,12,14-16H2/t25-,26-,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain membranes |
Bioorg Med Chem Lett 20: 6302-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.083
BindingDB Entry DOI: 10.7270/Q2G73DZ1 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50294428
(CHEMBL552308 | SN-28)Show SMILES CN1CC[C@]23Cc4nc5ccccc5cc4C[C@H]2[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:17:26.20.19| Show InChI InChI=1S/C24H24N2O/c1-26-9-8-24-14-22-17(10-16-4-2-3-5-21(16)25-22)11-20(24)23(26)12-15-6-7-18(27)13-19(15)24/h2-7,10,13,20,23,27H,8-9,11-12,14H2,1H3/t20-,23+,24+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain membranes |
Bioorg Med Chem Lett 20: 6302-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.083
BindingDB Entry DOI: 10.7270/Q2G73DZ1 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50391591
(CHEMBL2147904)Show SMILES CN1CC[C@]23Cc4nc5cccc(F)c5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:18:28.22.21| Show InChI InChI=1S/C24H23FN2O2/c1-27-8-7-23-13-21-15(9-17-19(25)3-2-4-20(17)26-21)12-24(23,29)22(27)10-14-5-6-16(28)11-18(14)23/h2-6,9,11,22,28-29H,7-8,10,12-13H2,1H3/t22-,23-,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.143 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum |
Bioorg Med Chem 20: 5810-31 (2012)
Article DOI: 10.1016/j.bmc.2012.08.004
BindingDB Entry DOI: 10.7270/Q2F190T5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50391594
(CHEMBL2147907)Show SMILES CN1CC[C@]23Cc4nc5c(F)cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:18:28.22.21| Show InChI InChI=1S/C24H23FN2O2/c1-27-8-7-23-13-20-16(9-15-3-2-4-19(25)22(15)26-20)12-24(23,29)21(27)10-14-5-6-17(28)11-18(14)23/h2-6,9,11,21,28-29H,7-8,10,12-13H2,1H3/t21-,23-,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.146 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum |
Bioorg Med Chem 20: 5810-31 (2012)
Article DOI: 10.1016/j.bmc.2012.08.004
BindingDB Entry DOI: 10.7270/Q2F190T5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50391595
(CHEMBL2147908)Show SMILES CN1CC[C@]23Cc4nc5cccc(C)c5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:18:28.22.21| Show InChI InChI=1S/C25H26N2O2/c1-15-4-3-5-21-19(15)10-17-13-25(29)23-11-16-6-7-18(28)12-20(16)24(25,8-9-27(23)2)14-22(17)26-21/h3-7,10,12,23,28-29H,8-9,11,13-14H2,1-2H3/t23-,24-,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.148 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum |
Bioorg Med Chem 20: 5810-31 (2012)
Article DOI: 10.1016/j.bmc.2012.08.004
BindingDB Entry DOI: 10.7270/Q2F190T5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50391603
(CHEMBL2147916)Show SMILES COc1cccc2nc3C[C@]45CCN(C)[C@H](Cc6ccc(O)cc46)[C@]5(O)Cc3cc12 |r,TLB:14:13:24:23.17.16| Show InChI InChI=1S/C25H26N2O3/c1-27-9-8-24-14-21-16(10-18-20(26-21)4-3-5-22(18)30-2)13-25(24,29)23(27)11-15-6-7-17(28)12-19(15)24/h3-7,10,12,23,28-29H,8-9,11,13-14H2,1-2H3/t23-,24-,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.151 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum |
Bioorg Med Chem 20: 5810-31 (2012)
Article DOI: 10.1016/j.bmc.2012.08.004
BindingDB Entry DOI: 10.7270/Q2F190T5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50329095
(CHEMBL1270282)Show SMILES CN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:17:21.27.20| Show InChI InChI=1S/C24H24N2O2/c1-26-9-8-23-14-21-17(10-16-4-2-3-5-20(16)25-21)13-24(23,28)22(26)11-15-6-7-18(27)12-19(15)23/h2-7,10,12,22,27-28H,8-9,11,13-14H2,1H3/t22-,23-,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain membranes |
Bioorg Med Chem Lett 20: 6302-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.083
BindingDB Entry DOI: 10.7270/Q2G73DZ1 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50329095
(CHEMBL1270282)Show SMILES CN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:17:21.27.20| Show InChI InChI=1S/C24H24N2O2/c1-26-9-8-23-14-21-17(10-16-4-2-3-5-20(16)25-21)13-24(23,28)22(26)11-15-6-7-18(27)12-19(15)23/h2-7,10,12,22,27-28H,8-9,11,13-14H2,1H3/t22-,23-,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum |
Bioorg Med Chem 20: 5810-31 (2012)
Article DOI: 10.1016/j.bmc.2012.08.004
BindingDB Entry DOI: 10.7270/Q2F190T5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM21864
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum |
Bioorg Med Chem 20: 5810-31 (2012)
Article DOI: 10.1016/j.bmc.2012.08.004
BindingDB Entry DOI: 10.7270/Q2F190T5 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50050513
((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...)Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116748
BindingDB Entry DOI: 10.7270/Q2MG7TGW |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50329098
(CHEMBL1270383)Show SMILES Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(Cc5nc6ccccc6cc5C[C@@]34O)c2c1 |r,THB:8:7:28:4.30.5| Show InChI InChI=1S/C28H30N2O2/c31-22-9-8-19-13-26-28(32)15-21-12-20-6-1-2-7-24(20)29-25(21)16-27(28,23(19)14-22)10-11-30(26)17-18-4-3-5-18/h1-2,6-9,12,14,18,26,31-32H,3-5,10-11,13,15-17H2/t26-,27-,28-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain membranes |
Bioorg Med Chem Lett 20: 6302-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.083
BindingDB Entry DOI: 10.7270/Q2G73DZ1 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50391582
(CHEMBL2147927)Show SMILES CN1CC[C@]23Cc4nc5c(cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31)[N+]([O-])=O |r,THB:0:1:17:27.21.20| Show InChI InChI=1S/C24H23N3O4/c1-26-8-7-23-13-19-16(9-15-3-2-4-20(27(30)31)22(15)25-19)12-24(23,29)21(26)10-14-5-6-17(28)11-18(14)23/h2-6,9,11,21,28-29H,7-8,10,12-13H2,1H3/t21-,23-,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.218 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum |
Bioorg Med Chem 20: 5810-31 (2012)
Article DOI: 10.1016/j.bmc.2012.08.004
BindingDB Entry DOI: 10.7270/Q2F190T5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50391590
(CHEMBL2147903)Show SMILES CN1CC[C@]23Cc4nc5c(Cl)cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:18:28.22.21| Show InChI InChI=1S/C24H23ClN2O2/c1-27-8-7-23-13-20-16(9-15-3-2-4-19(25)22(15)26-20)12-24(23,29)21(27)10-14-5-6-17(28)11-18(14)23/h2-6,9,11,21,28-29H,7-8,10,12-13H2,1H3/t21-,23-,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.235 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum |
Bioorg Med Chem 20: 5810-31 (2012)
Article DOI: 10.1016/j.bmc.2012.08.004
BindingDB Entry DOI: 10.7270/Q2F190T5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50391607
(CHEMBL2147920)Show SMILES CN1CC[C@]23Cc4nc5cccc(c5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31)C(F)(F)F |r,THB:0:1:17:27.21.20| Show InChI InChI=1S/C25H23F3N2O2/c1-30-8-7-23-13-21-15(9-17-18(25(26,27)28)3-2-4-20(17)29-21)12-24(23,32)22(30)10-14-5-6-16(31)11-19(14)23/h2-6,9,11,22,31-32H,7-8,10,12-13H2,1H3/t22-,23-,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.244 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum |
Bioorg Med Chem 20: 5810-31 (2012)
Article DOI: 10.1016/j.bmc.2012.08.004
BindingDB Entry DOI: 10.7270/Q2F190T5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50391593
(CHEMBL2147906)Show SMILES CN1CC[C@]23Cc4nc5cc(F)ccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:18:28.22.21| Show InChI InChI=1S/C24H23FN2O2/c1-27-7-6-23-13-21-16(8-15-2-4-17(25)10-20(15)26-21)12-24(23,29)22(27)9-14-3-5-18(28)11-19(14)23/h2-5,8,10-11,22,28-29H,6-7,9,12-13H2,1H3/t22-,23-,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.255 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum |
Bioorg Med Chem 20: 5810-31 (2012)
Article DOI: 10.1016/j.bmc.2012.08.004
BindingDB Entry DOI: 10.7270/Q2F190T5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50391598
(CHEMBL2147911)Show SMILES CN1CC[C@]23Cc4nc5c(C)cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:18:28.22.21| Show InChI InChI=1S/C25H26N2O2/c1-15-4-3-5-17-10-18-13-25(29)22-11-16-6-7-19(28)12-20(16)24(25,8-9-27(22)2)14-21(18)26-23(15)17/h3-7,10,12,22,28-29H,8-9,11,13-14H2,1-2H3/t22-,24-,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.267 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum |
Bioorg Med Chem 20: 5810-31 (2012)
Article DOI: 10.1016/j.bmc.2012.08.004
BindingDB Entry DOI: 10.7270/Q2F190T5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50391601
(CHEMBL2147914)Show SMILES CN1CC[C@]23Cc4nc5cc(O)ccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:18:28.22.21| Show InChI InChI=1S/C24H24N2O3/c1-26-7-6-23-13-21-16(8-15-3-5-18(28)11-20(15)25-21)12-24(23,29)22(26)9-14-2-4-17(27)10-19(14)23/h2-5,8,10-11,22,27-29H,6-7,9,12-13H2,1H3/t22-,23-,24-/m1/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 |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum |
Bioorg Med Chem 20: 5810-31 (2012)
Article DOI: 10.1016/j.bmc.2012.08.004
BindingDB Entry DOI: 10.7270/Q2F190T5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50391596
(CHEMBL2147909)Show SMILES CN1CC[C@]23Cc4nc5ccc(C)cc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:18:28.22.21| Show InChI InChI=1S/C25H26N2O2/c1-15-3-6-21-17(9-15)10-18-13-25(29)23-11-16-4-5-19(28)12-20(16)24(25,7-8-27(23)2)14-22(18)26-21/h3-6,9-10,12,23,28-29H,7-8,11,13-14H2,1-2H3/t23-,24-,25-/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 |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum |
Bioorg Med Chem 20: 5810-31 (2012)
Article DOI: 10.1016/j.bmc.2012.08.004
BindingDB Entry DOI: 10.7270/Q2F190T5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50391579
(CHEMBL2147924)Show SMILES CN1CC[C@]23Cc4nc5cccc([N+]([O-])=O)c5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:20:30.24.23| Show InChI InChI=1S/C24H23N3O4/c1-26-8-7-23-13-20-15(9-17-19(25-20)3-2-4-21(17)27(30)31)12-24(23,29)22(26)10-14-5-6-16(28)11-18(14)23/h2-6,9,11,22,28-29H,7-8,10,12-13H2,1H3/t22-,23-,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.344 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum |
Bioorg Med Chem 20: 5810-31 (2012)
Article DOI: 10.1016/j.bmc.2012.08.004
BindingDB Entry DOI: 10.7270/Q2F190T5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50391587
(CHEMBL2147891)Show SMILES CN1CC[C@]23Cc4nc5cccc(Cl)c5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:18:28.22.21| Show InChI InChI=1S/C24H23ClN2O2/c1-27-8-7-23-13-21-15(9-17-19(25)3-2-4-20(17)26-21)12-24(23,29)22(27)10-14-5-6-16(28)11-18(14)23/h2-6,9,11,22,28-29H,7-8,10,12-13H2,1H3/t22-,23-,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.353 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum |
Bioorg Med Chem 20: 5810-31 (2012)
Article DOI: 10.1016/j.bmc.2012.08.004
BindingDB Entry DOI: 10.7270/Q2F190T5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50391597
(CHEMBL2147910)Show SMILES CN1CC[C@]23Cc4nc5cc(C)ccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:18:28.22.21| Show InChI InChI=1S/C25H26N2O2/c1-15-3-4-17-10-18-13-25(29)23-11-16-5-6-19(28)12-20(16)24(25,7-8-27(23)2)14-22(18)26-21(17)9-15/h3-6,9-10,12,23,28-29H,7-8,11,13-14H2,1-2H3/t23-,24-,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.362 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum |
Bioorg Med Chem 20: 5810-31 (2012)
Article DOI: 10.1016/j.bmc.2012.08.004
BindingDB Entry DOI: 10.7270/Q2F190T5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50391589
(CHEMBL2147902)Show SMILES CN1CC[C@]23Cc4nc5cc(Cl)ccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:18:28.22.21| Show InChI InChI=1S/C24H23ClN2O2/c1-27-7-6-23-13-21-16(8-15-2-4-17(25)10-20(15)26-21)12-24(23,29)22(27)9-14-3-5-18(28)11-19(14)23/h2-5,8,10-11,22,28-29H,6-7,9,12-13H2,1H3/t22-,23-,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.403 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum |
Bioorg Med Chem 20: 5810-31 (2012)
Article DOI: 10.1016/j.bmc.2012.08.004
BindingDB Entry DOI: 10.7270/Q2F190T5 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50244722
(CHEMBL4075976)Show SMILES CN1c2ccccc2OC[C@H](N2CCc3c(Cl)n(Cc4ccccc4)nc3C2=O)C1=O |r| Show InChI InChI=1S/C23H21ClN4O3/c1-26-17-9-5-6-10-19(17)31-14-18(22(26)29)27-12-11-16-20(23(27)30)25-28(21(16)24)13-15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.407 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy... |
J Med Chem 61: 2384-2409 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01647
BindingDB Entry DOI: 10.7270/Q2V98BGX |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50391578
(CHEMBL2147923)Show SMILES CN1CC[C@]23Cc4nc5c(cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31)C(F)(F)F |r,THB:0:1:17:27.21.20| Show InChI InChI=1S/C25H23F3N2O2/c1-30-8-7-23-13-20-16(9-15-3-2-4-18(22(15)29-20)25(26,27)28)12-24(23,32)21(30)10-14-5-6-17(31)11-19(14)23/h2-6,9,11,21,31-32H,7-8,10,12-13H2,1H3/t21-,23-,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.493 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum |
Bioorg Med Chem 20: 5810-31 (2012)
Article DOI: 10.1016/j.bmc.2012.08.004
BindingDB Entry DOI: 10.7270/Q2F190T5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50391606
(CHEMBL2147919)Show SMILES COc1cccc2cc3C[C@@]4(O)[C@H]5Cc6ccc(O)cc6[C@@]4(CCN5C)Cc3nc12 |r,THB:25:24:10:20.14.13| Show InChI InChI=1S/C25H26N2O3/c1-27-9-8-24-14-20-17(10-16-4-3-5-21(30-2)23(16)26-20)13-25(24,29)22(27)11-15-6-7-18(28)12-19(15)24/h3-7,10,12,22,28-29H,8-9,11,13-14H2,1-2H3/t22-,24-,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.498 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum |
Bioorg Med Chem 20: 5810-31 (2012)
Article DOI: 10.1016/j.bmc.2012.08.004
BindingDB Entry DOI: 10.7270/Q2F190T5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50329099
(CHEMBL1270474)Show SMILES CC(C)CN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:3:4:20:24.30.23| Show InChI InChI=1S/C27H30N2O2/c1-17(2)16-29-10-9-26-15-24-20(11-19-5-3-4-6-23(19)28-24)14-27(26,31)25(29)12-18-7-8-21(30)13-22(18)26/h3-8,11,13,17,25,30-31H,9-10,12,14-16H2,1-2H3/t25-,26-,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain membranes |
Bioorg Med Chem Lett 20: 6302-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.083
BindingDB Entry DOI: 10.7270/Q2G73DZ1 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50329097
(CHEMBL1270185)Show SMILES Oc1ccc2C[C@H]3N(CCc4ccccc4)CC[C@@]4(Cc5nc6ccccc6cc5C[C@@]34O)c2c1 |r,THB:8:7:31:4.33.5| Show InChI InChI=1S/C31H30N2O2/c34-25-11-10-22-17-29-31(35)19-24-16-23-8-4-5-9-27(23)32-28(24)20-30(31,26(22)18-25)13-15-33(29)14-12-21-6-2-1-3-7-21/h1-11,16,18,29,34-35H,12-15,17,19-20H2/t29-,30-,31-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain membranes |
Bioorg Med Chem Lett 20: 6302-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.083
BindingDB Entry DOI: 10.7270/Q2G73DZ1 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50391588
(CHEMBL2147901)Show SMILES CN1CC[C@]23Cc4nc5ccc(Cl)cc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:18:28.22.21| Show InChI InChI=1S/C24H23ClN2O2/c1-27-7-6-23-13-21-16(8-15-9-17(25)3-5-20(15)26-21)12-24(23,29)22(27)10-14-2-4-18(28)11-19(14)23/h2-5,8-9,11,22,28-29H,6-7,10,12-13H2,1H3/t22-,23-,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.583 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum |
Bioorg Med Chem 20: 5810-31 (2012)
Article DOI: 10.1016/j.bmc.2012.08.004
BindingDB Entry DOI: 10.7270/Q2F190T5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50391583
(CHEMBL2147928)Show SMILES CN(C)c1cccc2nc3C[C@]45CCN(C)[C@H](Cc6ccc(O)cc46)[C@]5(O)Cc3cc12 |r,TLB:15:14:25:24.18.17| Show InChI InChI=1S/C26H29N3O2/c1-28(2)23-6-4-5-21-19(23)11-17-14-26(31)24-12-16-7-8-18(30)13-20(16)25(26,9-10-29(24)3)15-22(17)27-21/h4-8,11,13,24,30-31H,9-10,12,14-15H2,1-3H3/t24-,25-,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.621 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum |
Bioorg Med Chem 20: 5810-31 (2012)
Article DOI: 10.1016/j.bmc.2012.08.004
BindingDB Entry DOI: 10.7270/Q2F190T5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50391586
(CHEMBL2147931)Show SMILES CN(C)c1cccc2cc3C[C@@]4(O)[C@H]5Cc6ccc(O)cc6[C@@]4(CCN5C)Cc3nc12 |r,THB:26:25:11:21.15.14| Show InChI InChI=1S/C26H29N3O2/c1-28(2)22-6-4-5-17-11-18-14-26(31)23-12-16-7-8-19(30)13-20(16)25(26,9-10-29(23)3)15-21(18)27-24(17)22/h4-8,11,13,23,30-31H,9-10,12,14-15H2,1-3H3/t23-,25-,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum |
Bioorg Med Chem 20: 5810-31 (2012)
Article DOI: 10.1016/j.bmc.2012.08.004
BindingDB Entry DOI: 10.7270/Q2F190T5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50391592
(CHEMBL2147905)Show SMILES CN1CC[C@]23Cc4nc5ccc(F)cc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31 |r,THB:0:1:18:28.22.21| Show InChI InChI=1S/C24H23FN2O2/c1-27-7-6-23-13-21-16(8-15-9-17(25)3-5-20(15)26-21)12-24(23,29)22(27)10-14-2-4-18(28)11-19(14)23/h2-5,8-9,11,22,28-29H,6-7,10,12-13H2,1H3/t22-,23-,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
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 |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum |
Bioorg Med Chem 20: 5810-31 (2012)
Article DOI: 10.1016/j.bmc.2012.08.004
BindingDB Entry DOI: 10.7270/Q2F190T5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50329101
(CHEMBL1270573)Show SMILES Oc1ccc2C[C@H]3N(CC4CCCC4)CC[C@@]4(Cc5nc6ccccc6cc5C[C@@]34O)c2c1 |r,THB:8:7:29:4.31.5| Show InChI InChI=1S/C29H32N2O2/c32-23-10-9-20-14-27-29(33)16-22-13-21-7-3-4-8-25(21)30-26(22)17-28(29,24(20)15-23)11-12-31(27)18-19-5-1-2-6-19/h3-4,7-10,13,15,19,27,32-33H,1-2,5-6,11-12,14,16-18H2/t27-,28-,29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain membranes |
Bioorg Med Chem Lett 20: 6302-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.083
BindingDB Entry DOI: 10.7270/Q2G73DZ1 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50391605
(CHEMBL2147918)Show SMILES COc1ccc2cc3C[C@@]4(O)[C@H]5Cc6ccc(O)cc6[C@@]4(CCN5C)Cc3nc2c1 |r,THB:24:23:9:19.13.12| Show InChI InChI=1S/C25H26N2O3/c1-27-8-7-24-14-22-17(9-16-4-6-19(30-2)12-21(16)26-22)13-25(24,29)23(27)10-15-3-5-18(28)11-20(15)24/h3-6,9,11-12,23,28-29H,7-8,10,13-14H2,1-2H3/t23-,24-,25-/m1/s1 | PDB
Reactome pathway
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B.MOAD
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PC sid
UniChem
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PubMed
| 0.808 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum |
Bioorg Med Chem 20: 5810-31 (2012)
Article DOI: 10.1016/j.bmc.2012.08.004
BindingDB Entry DOI: 10.7270/Q2F190T5 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50244729
(CHEMBL4061975)Show SMILES CN1c2cc(ccc2OC[C@H](N2CCc3c(Cl)n(Cc4ccccc4)nc3C2=O)C1=O)C#N |r| Show InChI InChI=1S/C24H20ClN5O3/c1-28-18-11-16(12-26)7-8-20(18)33-14-19(23(28)31)29-10-9-17-21(24(29)32)27-30(22(17)25)13-15-5-3-2-4-6-15/h2-8,11,19H,9-10,13-14H2,1H3/t19-/m0/s1 | PDB
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UniChem
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PubMed
| 0.851 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy... |
J Med Chem 61: 2384-2409 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01647
BindingDB Entry DOI: 10.7270/Q2V98BGX |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50391604
(CHEMBL2147917)Show SMILES COc1ccc2nc3C[C@]45CCN(C)[C@H](Cc6ccc(O)cc46)[C@]5(O)Cc3cc2c1 |r,TLB:13:12:23:22.16.15| Show InChI InChI=1S/C25H26N2O3/c1-27-8-7-24-14-22-17(9-16-10-19(30-2)5-6-21(16)26-22)13-25(24,29)23(27)11-15-3-4-18(28)12-20(15)24/h3-6,9-10,12,23,28-29H,7-8,11,13-14H2,1-2H3/t23-,24-,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 0.874 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum |
Bioorg Med Chem 20: 5810-31 (2012)
Article DOI: 10.1016/j.bmc.2012.08.004
BindingDB Entry DOI: 10.7270/Q2F190T5 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50244721
(CHEMBL4100398)Show SMILES CN1c2ccc(cc2OC[C@H](N2CCc3c(Cl)n(Cc4ccccc4)nc3C2=O)C1=O)C#N |r| Show InChI InChI=1S/C24H20ClN5O3/c1-28-18-8-7-16(12-26)11-20(18)33-14-19(23(28)31)29-10-9-17-21(24(29)32)27-30(22(17)25)13-15-5-3-2-4-6-15/h2-8,11,19H,9-10,13-14H2,1H3/t19-/m0/s1 | PDB
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Article
PubMed
| 0.912 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy... |
J Med Chem 61: 2384-2409 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01647
BindingDB Entry DOI: 10.7270/Q2V98BGX |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50244730
(CHEMBL4069537)Show SMILES CNC(=O)c1ccc2N(C)C(=O)[C@H](COc2c1)N1CCc2c(Cl)n(Cc3ccccc3)nc2C1=O |r| Show InChI InChI=1S/C25H24ClN5O4/c1-27-23(32)16-8-9-18-20(12-16)35-14-19(24(33)29(18)2)30-11-10-17-21(25(30)34)28-31(22(17)26)13-15-6-4-3-5-7-15/h3-9,12,19H,10-11,13-14H2,1-2H3,(H,27,32)/t19-/m0/s1 | PDB
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| CHEMBL
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UniChem
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PubMed
| 0.912 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy... |
J Med Chem 61: 2384-2409 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01647
BindingDB Entry DOI: 10.7270/Q2V98BGX |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50391608
(CHEMBL2147921)Show SMILES CN1CC[C@]23Cc4nc5ccc(cc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31)C(F)(F)F |r,THB:0:1:17:27.21.20| Show InChI InChI=1S/C25H23F3N2O2/c1-30-7-6-23-13-21-16(8-15-9-17(25(26,27)28)3-5-20(15)29-21)12-24(23,32)22(30)10-14-2-4-18(31)11-19(14)23/h2-5,8-9,11,22,31-32H,6-7,10,12-13H2,1H3/t22-,23-,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.923 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum |
Bioorg Med Chem 20: 5810-31 (2012)
Article DOI: 10.1016/j.bmc.2012.08.004
BindingDB Entry DOI: 10.7270/Q2F190T5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50391584
(CHEMBL2147929)Show SMILES CN(C)c1ccc2nc3C[C@]45CCN(C)[C@H](Cc6ccc(O)cc46)[C@]5(O)Cc3cc2c1 |r,TLB:14:13:24:23.17.16| Show InChI InChI=1S/C26H29N3O2/c1-28(2)19-5-7-22-17(11-19)10-18-14-26(31)24-12-16-4-6-20(30)13-21(16)25(26,8-9-29(24)3)15-23(18)27-22/h4-7,10-11,13,24,30-31H,8-9,12,14-15H2,1-3H3/t24-,25-,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.963 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum |
Bioorg Med Chem 20: 5810-31 (2012)
Article DOI: 10.1016/j.bmc.2012.08.004
BindingDB Entry DOI: 10.7270/Q2F190T5 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50233225
(CHEMBL4071864)Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)C1=O |r| Show InChI InChI=1S/C20H19N5O3/c1-25-15-9-5-6-10-16(15)28-12-14(20(25)27)21-19(26)18-22-17(23-24-18)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,21,26)(H,22,23,24)/t14-/m0/s1 | PDB
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PubMed
| 0.977 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy... |
J Med Chem 61: 2384-2409 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01647
BindingDB Entry DOI: 10.7270/Q2V98BGX |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50391581
(CHEMBL2147926)Show SMILES CN1CC[C@]23Cc4nc5cc(ccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31)[N+]([O-])=O |r,THB:0:1:17:27.21.20| Show InChI InChI=1S/C24H23N3O4/c1-26-7-6-23-13-21-16(8-15-2-4-17(27(30)31)10-20(15)25-21)12-24(23,29)22(26)9-14-3-5-18(28)11-19(14)23/h2-5,8,10-11,22,28-29H,6-7,9,12-13H2,1H3/t22-,23-,24-/m1/s1 | PDB
Reactome pathway
KEGG
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PC sid
UniChem
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PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum |
Bioorg Med Chem 20: 5810-31 (2012)
Article DOI: 10.1016/j.bmc.2012.08.004
BindingDB Entry DOI: 10.7270/Q2F190T5 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50244765
(CHEMBL4084681)Show SMILES CN1c2ccccc2OC[C@H](N2CCc3c(nn(Cc4ccccc4)c3C#N)C2=O)C1=O |r| Show InChI InChI=1S/C24H21N5O3/c1-27-18-9-5-6-10-21(18)32-15-20(23(27)30)28-12-11-17-19(13-25)29(26-22(17)24(28)31)14-16-7-3-2-4-8-16/h2-10,20H,11-12,14-15H2,1H3/t20-/m0/s1 | PDB
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UniChem
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PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy... |
J Med Chem 61: 2384-2409 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01647
BindingDB Entry DOI: 10.7270/Q2V98BGX |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50244763
(CHEMBL4082215)Show SMILES CN1c2ccccc2OC[C@H](N2CCc3cn(Cc4c(F)cccc4F)nc3C2=O)C1=O |r| Show InChI InChI=1S/C23H20F2N4O3/c1-27-18-7-2-3-8-20(18)32-13-19(22(27)30)29-10-9-14-11-28(26-21(14)23(29)31)12-15-16(24)5-4-6-17(15)25/h2-8,11,19H,9-10,12-13H2,1H3/t19-/m0/s1 | PDB
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PC sid
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PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy... |
J Med Chem 61: 2384-2409 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01647
BindingDB Entry DOI: 10.7270/Q2V98BGX |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50391609
(CHEMBL2147922)Show SMILES CN1CC[C@]23Cc4nc5cc(ccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31)C(F)(F)F |r,THB:0:1:17:27.21.20| Show InChI InChI=1S/C25H23F3N2O2/c1-30-7-6-23-13-21-16(8-15-2-4-17(25(26,27)28)10-20(15)29-21)12-24(23,32)22(30)9-14-3-5-18(31)11-19(14)23/h2-5,8,10-11,22,31-32H,6-7,9,12-13H2,1H3/t22-,23-,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum |
Bioorg Med Chem 20: 5810-31 (2012)
Article DOI: 10.1016/j.bmc.2012.08.004
BindingDB Entry DOI: 10.7270/Q2F190T5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50290872
((-)-rel-3-((4aR,12aS)-2-methyl-1,2,3,4,4a,5,12,12a...)Show SMILES CN1CC[C@@]2(Cc3nc4ccccc4cc3C[C@H]2C1)c1cccc(O)c1 |r| Show InChI InChI=1S/C23H24N2O/c1-25-10-9-23(18-6-4-7-20(26)13-18)14-22-17(12-19(23)15-25)11-16-5-2-3-8-21(16)24-22/h2-8,11,13,19,26H,9-10,12,14-15H2,1H3/t19-,23+/m0/s1 | PDB
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PubMed
| 1.44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain membranes |
Bioorg Med Chem Lett 20: 6302-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.083
BindingDB Entry DOI: 10.7270/Q2G73DZ1 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50391585
(CHEMBL2147930)Show SMILES CN(C)c1ccc2cc3C[C@@]4(O)[C@H]5Cc6ccc(O)cc6[C@@]4(CCN5C)Cc3nc2c1 |r,THB:25:24:10:20.14.13| Show InChI InChI=1S/C26H29N3O2/c1-28(2)19-6-4-17-10-18-14-26(31)24-11-16-5-7-20(30)13-21(16)25(26,8-9-29(24)3)15-23(18)27-22(17)12-19/h4-7,10,12-13,24,30-31H,8-9,11,14-15H2,1-3H3/t24-,25-,26-/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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PubMed
| 1.65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum |
Bioorg Med Chem 20: 5810-31 (2012)
Article DOI: 10.1016/j.bmc.2012.08.004
BindingDB Entry DOI: 10.7270/Q2F190T5 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50244679
(CHEMBL4090975)Show SMILES CN1c2ccccc2OC[C@H](N2CCc3cn(Cc4ccccc4F)nc3C2=O)C1=O |r| Show InChI InChI=1S/C23H21FN4O3/c1-26-18-8-4-5-9-20(18)31-14-19(22(26)29)28-11-10-16-13-27(25-21(16)23(28)30)12-15-6-2-3-7-17(15)24/h2-9,13,19H,10-12,14H2,1H3/t19-/m0/s1 | PDB
UniProtKB/SwissProt
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UniChem
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PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy... |
J Med Chem 61: 2384-2409 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01647
BindingDB Entry DOI: 10.7270/Q2V98BGX |
More data for this
Ligand-Target Pair | |
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