Found 91 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Kappa-type opioid receptor (KOR)
(Mus musculus (Mouse)) | BDBM50010542
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)Show SMILES CNC(Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)NC(Cc1ccc(cc1)[N+]([O-])=O)C(=O)NC(CC(C)C)C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NC(CC(C)C)C(N)=O Show InChI InChI=1S/C47H74N16O11/c1-26(2)20-34(40(48)67)61-43(70)33(9-7-19-55-47(51)52)59-42(69)32(8-6-18-54-46(49)50)60-44(71)36(21-27(3)4)62-45(72)37(23-28-10-14-30(15-11-28)63(73)74)58-39(66)25-56-38(65)24-57-41(68)35(53-5)22-29-12-16-31(64)17-13-29/h10-17,26-27,32-37,53H,6-9,18-25H2,1-5H3,(H18,48,49,50,51,52,54,55,56,57,58,59,60,61,62,64,65,66,67,68,69,70,71,72) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays... |
Citation and Details
|
More data for this
Ligand-Target Pair | |
mu/kappa opioid receptor
(GUINEA PIG) | BDBM50010532
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1 Show InChI InChI=1S/C47H73N15O9S2/c1-5-53-40(66)33(21-27(2)3)59-44(70)37(14-10-20-55-47(51)52)62(4)45(71)32(13-9-19-54-46(49)50)58-43(69)36-26-73-72-25-35(60-39(65)31(48)22-29-15-17-30(63)18-16-29)41(67)56-24-38(64)57-34(42(68)61-36)23-28-11-7-6-8-12-28/h6-8,11-12,15-18,27,31-37,63H,5,9-10,13-14,19-26,48H2,1-4H3,(H,53,66)(H,56,67)(H,57,64)(H,58,69)(H,59,70)(H,60,65)(H,61,68)(H4,49,50,54)(H4,51,52,55)/t31-,32-,33-,34+,35-,36+,37-/m0/s1 | UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinities against Opioid receptor mu 1 of guinea pig brain membrane using [3H]-DAGO as the radioligand using competition binding assays. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
mu/kappa opioid receptor
(GUINEA PIG) | BDBM50010542
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)Show SMILES CNC(Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)NC(Cc1ccc(cc1)[N+]([O-])=O)C(=O)NC(CC(C)C)C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NC(CC(C)C)C(N)=O Show InChI InChI=1S/C47H74N16O11/c1-26(2)20-34(40(48)67)61-43(70)33(9-7-19-55-47(51)52)59-42(69)32(8-6-18-54-46(49)50)60-44(71)36(21-27(3)4)62-45(72)37(23-28-10-14-30(15-11-28)63(73)74)58-39(66)25-56-38(65)24-57-41(68)35(53-5)22-29-12-16-31(64)17-13-29/h10-17,26-27,32-37,53H,6-9,18-25H2,1-5H3,(H18,48,49,50,51,52,54,55,56,57,58,59,60,61,62,64,65,66,67,68,69,70,71,72) | UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinities against Opioid receptor mu 1 of guinea pig brain membrane using [3H]-DAGO as the radioligand using competition binding assays. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor (KOR)
(Mus musculus (Mouse)) | BDBM50010538
(2-[2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C46H73N15O9/c1-5-27(4)38(39(48)65)61-42(68)33(14-10-20-54-46(51)52)58-41(67)32(13-9-19-53-45(49)50)59-43(69)34(21-26(2)3)60-44(70)35(23-28-11-7-6-8-12-28)57-37(64)25-55-36(63)24-56-40(66)31(47)22-29-15-17-30(62)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,62H,5,9-10,13-14,19-25,47H2,1-4H3,(H2,48,65)(H,55,63)(H,56,66)(H,57,64)(H,58,67)(H,59,69)(H,60,70)(H,61,68)(H4,49,50,53)(H4,51,52,54)/t27-,31-,32-,33-,34-,35+,38-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays... |
Citation and Details
|
More data for this
Ligand-Target Pair | |
mu/kappa opioid receptor
(GUINEA PIG) | BDBM50010537
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-27(2)22-35(40(49)66)62-43(69)34(15-11-21-56-48(52)53)60-42(68)33(14-10-20-55-47(50)51)61-45(71)37(23-28(3)4)63-46(72)38(25-30-12-8-7-9-13-30)59-39(65)26-57-41(67)29(5)58-44(70)36(54-6)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,27-29,33-38,54,64H,10-11,14-15,20-26H2,1-6H3,(H2,49,66)(H,57,67)(H,58,70)(H,59,65)(H,60,68)(H,61,71)(H,62,69)(H,63,72)(H4,50,51,55)(H4,52,53,56)/t29-,33-,34-,35-,36-,37-,38-/m0/s1 | UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinities against Opioid receptor mu 1 of guinea pig brain membrane using [3H]-DAGO as the radioligand using competition binding assays. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor (KOR)
(Mus musculus (Mouse)) | BDBM50010535
(2-{5-Guanidino-2-[(5-guanidino-2-{2-[2-(2-{2-[3-(4...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-28(2)22-34(41(49)67)61-45(71)38(15-11-21-56-48(52)53)63(6)46(72)33(14-10-20-55-47(50)51)60-43(69)36(23-29(3)4)62-44(70)37(25-30-12-8-7-9-13-30)59-40(66)27-57-39(65)26-58-42(68)35(54-5)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,28-29,33-38,54,64H,10-11,14-15,20-27H2,1-6H3,(H2,49,67)(H,57,65)(H,58,68)(H,59,66)(H,60,69)(H,61,71)(H,62,70)(H4,50,51,55)(H4,52,53,56)/t33-,34-,35-,36-,37+,38-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays... |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor (KOR)
(Mus musculus (Mouse)) | BDBM50010536
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C47H75N15O9/c1-27(2)21-34(40(48)66)61-43(69)33(14-10-20-55-47(51)52)59-42(68)32(13-9-19-54-46(49)50)60-44(70)36(22-28(3)4)62-45(71)37(24-29-11-7-6-8-12-29)58-39(65)26-56-38(64)25-57-41(67)35(53-5)23-30-15-17-31(63)18-16-30/h6-8,11-12,15-18,27-28,32-37,53,63H,9-10,13-14,19-26H2,1-5H3,(H2,48,66)(H,56,64)(H,57,67)(H,58,65)(H,59,68)(H,60,70)(H,61,69)(H,62,71)(H4,49,50,54)(H4,51,52,55)/t32-,33-,34-,35-,36-,37+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays... |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (human)) | BDBM50010532
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1 Show InChI InChI=1S/C47H73N15O9S2/c1-5-53-40(66)33(21-27(2)3)59-44(70)37(14-10-20-55-47(51)52)62(4)45(71)32(13-9-19-54-46(49)50)58-43(69)36-26-73-72-25-35(60-39(65)31(48)22-29-15-17-30(63)18-16-29)41(67)56-24-38(64)57-34(42(68)61-36)23-28-11-7-6-8-12-28/h6-8,11-12,15-18,27,31-37,63H,5,9-10,13-14,19-26,48H2,1-4H3,(H,53,66)(H,56,67)(H,57,64)(H,58,69)(H,59,70)(H,60,65)(H,61,68)(H4,49,50,54)(H4,51,52,55)/t31-,32-,33-,34+,35-,36+,37-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinities against Opioid receptor delta 1 of guinea pig brain membrane using [3H]-DPDPE as the radioligand using competition binding assays. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
mu/kappa opioid receptor
(GUINEA PIG) | BDBM50010545
(2-{5-Guanidino-2-[(5-guanidino-2-{2-[2-(2-{2-[3-(4...)Show SMILES CCNC(=O)C(CC(C)C)NC(=O)C(CCC[N-]C(N)=[NH2+])N(C)C(=O)C(CCC[N-]C(N)=[NH2+])NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC Show InChI InChI=1S/C50H80N16O11/c1-8-56-44(71)37(23-29(2)3)64-47(74)40(12-10-22-58-50(53)54)65(7)48(75)35(11-9-21-57-49(51)52)62-45(72)38(24-30(4)5)63-46(73)39(26-31-13-17-33(18-14-31)66(76)77)61-42(69)28-59-41(68)27-60-43(70)36(55-6)25-32-15-19-34(67)20-16-32/h13-20,29-30,35-40,55H,8-12,21-28H2,1-7H3,(H16,51,52,53,54,56,57,58,59,60,61,62,63,64,67,68,69,70,71,72,73,74) | UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinities against Opioid receptor mu 1 of guinea pig brain membrane using [3H]-DAGO as the radioligand using competition binding assays. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor (KOR)
(Mus musculus (Mouse)) | BDBM50010534
(2-[2-(2-{2-[3-(4-Hydroxy-phenyl)-2-methylamino-pro...)Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC Show InChI InChI=1S/C50H81N15O9/c1-8-56-44(70)37(24-30(2)3)64-47(73)40(17-13-23-58-50(53)54)65(7)48(74)35(16-12-22-57-49(51)52)62-45(71)38(25-31(4)5)63-46(72)39(27-32-14-10-9-11-15-32)61-42(68)29-59-41(67)28-60-43(69)36(55-6)26-33-18-20-34(66)21-19-33/h9-11,14-15,18-21,30-31,35-40,55,66H,8,12-13,16-17,22-29H2,1-7H3,(H,56,70)(H,59,67)(H,60,69)(H,61,68)(H,62,71)(H,63,72)(H,64,73)(H4,51,52,57)(H4,53,54,58)/t35-,36-,37-,38-,39+,40-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays... |
Citation and Details
|
More data for this
Ligand-Target Pair | |
mu/kappa opioid receptor
(GUINEA PIG) | BDBM50010536
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C47H75N15O9/c1-27(2)21-34(40(48)66)61-43(69)33(14-10-20-55-47(51)52)59-42(68)32(13-9-19-54-46(49)50)60-44(70)36(22-28(3)4)62-45(71)37(24-29-11-7-6-8-12-29)58-39(65)26-56-38(64)25-57-41(67)35(53-5)23-30-15-17-31(63)18-16-30/h6-8,11-12,15-18,27-28,32-37,53,63H,9-10,13-14,19-26H2,1-5H3,(H2,48,66)(H,56,64)(H,57,67)(H,58,65)(H,59,68)(H,60,70)(H,61,69)(H,62,71)(H4,49,50,54)(H4,51,52,55)/t32-,33-,34-,35-,36-,37+/m0/s1 | UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinities against Opioid receptor mu 1 of guinea pig brain membrane using [3H]-DAGO as the radioligand using competition binding assays. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor (KOR)
(Mus musculus (Mouse)) | BDBM50010532
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1 Show InChI InChI=1S/C47H73N15O9S2/c1-5-53-40(66)33(21-27(2)3)59-44(70)37(14-10-20-55-47(51)52)62(4)45(71)32(13-9-19-54-46(49)50)58-43(69)36-26-73-72-25-35(60-39(65)31(48)22-29-15-17-30(63)18-16-29)41(67)56-24-38(64)57-34(42(68)61-36)23-28-11-7-6-8-12-28/h6-8,11-12,15-18,27,31-37,63H,5,9-10,13-14,19-26,48H2,1-4H3,(H,53,66)(H,56,67)(H,57,64)(H,58,69)(H,59,70)(H,60,65)(H,61,68)(H4,49,50,54)(H4,51,52,55)/t31-,32-,33-,34+,35-,36+,37-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.02 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays... |
Citation and Details
|
More data for this
Ligand-Target Pair | |
mu/kappa opioid receptor
(GUINEA PIG) | BDBM50010535
(2-{5-Guanidino-2-[(5-guanidino-2-{2-[2-(2-{2-[3-(4...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-28(2)22-34(41(49)67)61-45(71)38(15-11-21-56-48(52)53)63(6)46(72)33(14-10-20-55-47(50)51)60-43(69)36(23-29(3)4)62-44(70)37(25-30-12-8-7-9-13-30)59-40(66)27-57-39(65)26-58-42(68)35(54-5)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,28-29,33-38,54,64H,10-11,14-15,20-27H2,1-6H3,(H2,49,67)(H,57,65)(H,58,68)(H,59,66)(H,60,69)(H,61,71)(H,62,70)(H4,50,51,55)(H4,52,53,56)/t33-,34-,35-,36-,37+,38-/m0/s1 | UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinities against Opioid receptor mu 1 of guinea pig brain membrane using [3H]-DAGO as the radioligand using competition binding assays. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor (KOR)
(Mus musculus (Mouse)) | BDBM50010545
(2-{5-Guanidino-2-[(5-guanidino-2-{2-[2-(2-{2-[3-(4...)Show SMILES CCNC(=O)C(CC(C)C)NC(=O)C(CCC[N-]C(N)=[NH2+])N(C)C(=O)C(CCC[N-]C(N)=[NH2+])NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC Show InChI InChI=1S/C50H80N16O11/c1-8-56-44(71)37(23-29(2)3)64-47(74)40(12-10-22-58-50(53)54)65(7)48(75)35(11-9-21-57-49(51)52)62-45(72)38(24-30(4)5)63-46(73)39(26-31-13-17-33(18-14-31)66(76)77)61-42(69)28-59-41(68)27-60-43(70)36(55-6)25-32-15-19-34(67)20-16-32/h13-20,29-30,35-40,55H,8-12,21-28H2,1-7H3,(H16,51,52,53,54,56,57,58,59,60,61,62,63,64,67,68,69,70,71,72,73,74) | PDB
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays... |
Citation and Details
|
More data for this
Ligand-Target Pair | |
mu/kappa opioid receptor
(GUINEA PIG) | BDBM50010534
(2-[2-(2-{2-[3-(4-Hydroxy-phenyl)-2-methylamino-pro...)Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC Show InChI InChI=1S/C50H81N15O9/c1-8-56-44(70)37(24-30(2)3)64-47(73)40(17-13-23-58-50(53)54)65(7)48(74)35(16-12-22-57-49(51)52)62-45(71)38(25-31(4)5)63-46(72)39(27-32-14-10-9-11-15-32)61-42(68)29-59-41(67)28-60-43(69)36(55-6)26-33-18-20-34(66)21-19-33/h9-11,14-15,18-21,30-31,35-40,55,66H,8,12-13,16-17,22-29H2,1-7H3,(H,56,70)(H,59,67)(H,60,69)(H,61,68)(H,62,71)(H,63,72)(H,64,73)(H4,51,52,57)(H4,53,54,58)/t35-,36-,37-,38-,39+,40-/m0/s1 | UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
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| PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinities against Opioid receptor mu 1 of guinea pig brain membrane using [3H]-DAGO as the radioligand using competition binding assays. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
mu/kappa opioid receptor
(GUINEA PIG) | BDBM50010538
(2-[2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C46H73N15O9/c1-5-27(4)38(39(48)65)61-42(68)33(14-10-20-54-46(51)52)58-41(67)32(13-9-19-53-45(49)50)59-43(69)34(21-26(2)3)60-44(70)35(23-28-11-7-6-8-12-28)57-37(64)25-55-36(63)24-56-40(66)31(47)22-29-15-17-30(62)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,62H,5,9-10,13-14,19-25,47H2,1-4H3,(H2,48,65)(H,55,63)(H,56,66)(H,57,64)(H,58,67)(H,59,69)(H,60,70)(H,61,68)(H4,49,50,53)(H4,51,52,54)/t27-,31-,32-,33-,34-,35+,38-/m0/s1 | UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
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| PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinities against Opioid receptor mu 1 of guinea pig brain membrane using [3H]-DAGO as the radioligand using competition binding assays. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
mu/kappa opioid receptor
(GUINEA PIG) | BDBM50000092
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | UniProtKB/SwissProt
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| PubMed
| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinities against Opioid receptor mu 1 of guinea pig brain membrane using [3H]-DAGO as the radioligand using competition binding assays. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor (KOR)
(Mus musculus (Mouse)) | BDBM50010537
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-27(2)22-35(40(49)66)62-43(69)34(15-11-21-56-48(52)53)60-42(68)33(14-10-20-55-47(50)51)61-45(71)37(23-28(3)4)63-46(72)38(25-30-12-8-7-9-13-30)59-39(65)26-57-41(67)29(5)58-44(70)36(54-6)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,27-29,33-38,54,64H,10-11,14-15,20-26H2,1-6H3,(H2,49,66)(H,57,67)(H,58,70)(H,59,65)(H,60,68)(H,61,71)(H,62,69)(H,63,72)(H4,50,51,55)(H4,52,53,56)/t29-,33-,34-,35-,36-,37-,38-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 9.24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays... |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (human)) | BDBM50010545
(2-{5-Guanidino-2-[(5-guanidino-2-{2-[2-(2-{2-[3-(4...)Show SMILES CCNC(=O)C(CC(C)C)NC(=O)C(CCC[N-]C(N)=[NH2+])N(C)C(=O)C(CCC[N-]C(N)=[NH2+])NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC Show InChI InChI=1S/C50H80N16O11/c1-8-56-44(71)37(23-29(2)3)64-47(74)40(12-10-22-58-50(53)54)65(7)48(75)35(11-9-21-57-49(51)52)62-45(72)38(24-30(4)5)63-46(73)39(26-31-13-17-33(18-14-31)66(76)77)61-42(69)28-59-41(68)27-60-43(70)36(55-6)25-32-15-19-34(67)20-16-32/h13-20,29-30,35-40,55H,8-12,21-28H2,1-7H3,(H16,51,52,53,54,56,57,58,59,60,61,62,63,64,67,68,69,70,71,72,73,74) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
GoogleScholar
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PC sid
UniChem
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| PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinities against Opioid receptor delta 1 of guinea pig brain membrane using [3H]-DPDPE as the radioligand using competition binding assays. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (human)) | BDBM50010538
(2-[2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C46H73N15O9/c1-5-27(4)38(39(48)65)61-42(68)33(14-10-20-54-46(51)52)58-41(67)32(13-9-19-53-45(49)50)59-43(69)34(21-26(2)3)60-44(70)35(23-28-11-7-6-8-12-28)57-37(64)25-55-36(63)24-56-40(66)31(47)22-29-15-17-30(62)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,62H,5,9-10,13-14,19-25,47H2,1-4H3,(H2,48,65)(H,55,63)(H,56,66)(H,57,64)(H,58,67)(H,59,69)(H,60,70)(H,61,68)(H4,49,50,53)(H4,51,52,54)/t27-,31-,32-,33-,34-,35+,38-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
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PC sid
UniChem
Similars
| PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinities against Opioid receptor delta 1 of guinea pig brain membrane using [3H]-DPDPE as the radioligand using competition binding assays. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (human)) | BDBM50010534
(2-[2-(2-{2-[3-(4-Hydroxy-phenyl)-2-methylamino-pro...)Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC Show InChI InChI=1S/C50H81N15O9/c1-8-56-44(70)37(24-30(2)3)64-47(73)40(17-13-23-58-50(53)54)65(7)48(74)35(16-12-22-57-49(51)52)62-45(71)38(25-31(4)5)63-46(72)39(27-32-14-10-9-11-15-32)61-42(68)29-59-41(67)28-60-43(69)36(55-6)26-33-18-20-34(66)21-19-33/h9-11,14-15,18-21,30-31,35-40,55,66H,8,12-13,16-17,22-29H2,1-7H3,(H,56,70)(H,59,67)(H,60,69)(H,61,68)(H,62,71)(H,63,72)(H,64,73)(H4,51,52,57)(H4,53,54,58)/t35-,36-,37-,38-,39+,40-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinities against Opioid receptor delta 1 of guinea pig brain membrane using [3H]-DPDPE as the radioligand using competition binding assays. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (human)) | BDBM50010542
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)Show SMILES CNC(Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)NC(Cc1ccc(cc1)[N+]([O-])=O)C(=O)NC(CC(C)C)C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NC(CC(C)C)C(N)=O Show InChI InChI=1S/C47H74N16O11/c1-26(2)20-34(40(48)67)61-43(70)33(9-7-19-55-47(51)52)59-42(69)32(8-6-18-54-46(49)50)60-44(71)36(21-27(3)4)62-45(72)37(23-28-10-14-30(15-11-28)63(73)74)58-39(66)25-56-38(65)24-57-41(68)35(53-5)22-29-12-16-31(64)17-13-29/h10-17,26-27,32-37,53H,6-9,18-25H2,1-5H3,(H18,48,49,50,51,52,54,55,56,57,58,59,60,61,62,64,65,66,67,68,69,70,71,72) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
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PC sid
UniChem
Similars
| PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinities against Opioid receptor delta 1 of guinea pig brain membrane using [3H]-DPDPE as the radioligand using competition binding assays. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (human)) | BDBM50010537
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-27(2)22-35(40(49)66)62-43(69)34(15-11-21-56-48(52)53)60-42(68)33(14-10-20-55-47(50)51)61-45(71)37(23-28(3)4)63-46(72)38(25-30-12-8-7-9-13-30)59-39(65)26-57-41(67)29(5)58-44(70)36(54-6)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,27-29,33-38,54,64H,10-11,14-15,20-26H2,1-6H3,(H2,49,66)(H,57,67)(H,58,70)(H,59,65)(H,60,68)(H,61,71)(H,62,69)(H,63,72)(H4,50,51,55)(H4,52,53,56)/t29-,33-,34-,35-,36-,37-,38-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
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PC sid
UniChem
Similars
| PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinities against Opioid receptor delta 1 of guinea pig brain membrane using [3H]-DPDPE as the radioligand using competition binding assays. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (human)) | BDBM50010536
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C47H75N15O9/c1-27(2)21-34(40(48)66)61-43(69)33(14-10-20-55-47(51)52)59-42(68)32(13-9-19-54-46(49)50)60-44(70)36(22-28(3)4)62-45(71)37(24-29-11-7-6-8-12-29)58-39(65)26-56-38(64)25-57-41(67)35(53-5)23-30-15-17-31(63)18-16-30/h6-8,11-12,15-18,27-28,32-37,53,63H,9-10,13-14,19-26H2,1-5H3,(H2,48,66)(H,56,64)(H,57,67)(H,58,65)(H,59,68)(H,60,70)(H,61,69)(H,62,71)(H4,49,50,54)(H4,51,52,55)/t32-,33-,34-,35-,36-,37+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
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PC sid
UniChem
Similars
| PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinities against Opioid receptor delta 1 of guinea pig brain membrane using [3H]-DPDPE as the radioligand using competition binding assays. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (human)) | BDBM50010535
(2-{5-Guanidino-2-[(5-guanidino-2-{2-[2-(2-{2-[3-(4...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-28(2)22-34(41(49)67)61-45(71)38(15-11-21-56-48(52)53)63(6)46(72)33(14-10-20-55-47(50)51)60-43(69)36(23-29(3)4)62-44(70)37(25-30-12-8-7-9-13-30)59-40(66)27-57-39(65)26-58-42(68)35(54-5)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,28-29,33-38,54,64H,10-11,14-15,20-27H2,1-6H3,(H2,49,67)(H,57,65)(H,58,68)(H,59,66)(H,60,69)(H,61,71)(H,62,70)(H4,50,51,55)(H4,52,53,56)/t33-,34-,35-,36-,37+,38-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinities against Opioid receptor delta 1 of guinea pig brain membrane using [3H]-DPDPE as the radioligand using competition binding assays. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (human)) | BDBM50000092
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | PDB
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| PubMed
| 630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinities against Opioid receptor delta 1 of guinea pig brain membrane using [3H]-DPDPE as the radioligand using competition binding assays. |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor (KOR)
(Mus musculus (Mouse)) | BDBM50000092
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | PDB
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| 1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays... |
Citation and Details
|
More data for this
Ligand-Target Pair | |
mu/kappa opioid receptor
(GUINEA PIG) | BDBM50010532
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1 Show InChI InChI=1S/C47H73N15O9S2/c1-5-53-40(66)33(21-27(2)3)59-44(70)37(14-10-20-55-47(51)52)62(4)45(71)32(13-9-19-54-46(49)50)58-43(69)36-26-73-72-25-35(60-39(65)31(48)22-29-15-17-30(63)18-16-29)41(67)56-24-38(64)57-34(42(68)61-36)23-28-11-7-6-8-12-28/h6-8,11-12,15-18,27,31-37,63H,5,9-10,13-14,19-26,48H2,1-4H3,(H,53,66)(H,56,67)(H,57,64)(H,58,69)(H,59,70)(H,60,65)(H,61,68)(H4,49,50,54)(H4,51,52,55)/t31-,32-,33-,34+,35-,36+,37-/m0/s1 | UniProtKB/SwissProt
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UniChem
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| PubMed
| n/a | n/a | 0.00700 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (human)) | BDBM50010532
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1 Show InChI InChI=1S/C47H73N15O9S2/c1-5-53-40(66)33(21-27(2)3)59-44(70)37(14-10-20-55-47(51)52)62(4)45(71)32(13-9-19-54-46(49)50)58-43(69)36-26-73-72-25-35(60-39(65)31(48)22-29-15-17-30(63)18-16-29)41(67)56-24-38(64)57-34(42(68)61-36)23-28-11-7-6-8-12-28/h6-8,11-12,15-18,27,31-37,63H,5,9-10,13-14,19-26,48H2,1-4H3,(H,53,66)(H,56,67)(H,57,64)(H,58,69)(H,59,70)(H,60,65)(H,61,68)(H4,49,50,54)(H4,51,52,55)/t31-,32-,33-,34+,35-,36+,37-/m0/s1 | PDB
Reactome pathway
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| PubMed
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50010532
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1 Show InChI InChI=1S/C47H73N15O9S2/c1-5-53-40(66)33(21-27(2)3)59-44(70)37(14-10-20-55-47(51)52)62(4)45(71)32(13-9-19-54-46(49)50)58-43(69)36-26-73-72-25-35(60-39(65)31(48)22-29-15-17-30(63)18-16-29)41(67)56-24-38(64)57-34(42(68)61-36)23-28-11-7-6-8-12-28/h6-8,11-12,15-18,27,31-37,63H,5,9-10,13-14,19-26,48H2,1-4H3,(H,53,66)(H,56,67)(H,57,64)(H,58,69)(H,59,70)(H,60,65)(H,61,68)(H4,49,50,54)(H4,51,52,55)/t31-,32-,33-,34+,35-,36+,37-/m0/s1 | PDB
Reactome pathway
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UniChem
Similars
| PubMed
| n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor delta 1 of mouse vas deferens (MVD). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
mu/kappa opioid receptor
(GUINEA PIG) | BDBM50010538
(2-[2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C46H73N15O9/c1-5-27(4)38(39(48)65)61-42(68)33(14-10-20-54-46(51)52)58-41(67)32(13-9-19-53-45(49)50)59-43(69)34(21-26(2)3)60-44(70)35(23-28-11-7-6-8-12-28)57-37(64)25-55-36(63)24-56-40(66)31(47)22-29-15-17-30(62)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,62H,5,9-10,13-14,19-25,47H2,1-4H3,(H2,48,65)(H,55,63)(H,56,66)(H,57,64)(H,58,67)(H,59,69)(H,60,70)(H,61,68)(H4,49,50,53)(H4,51,52,54)/t27-,31-,32-,33-,34-,35+,38-/m0/s1 | UniProtKB/SwissProt
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| PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
mu/kappa opioid receptor
(GUINEA PIG) | BDBM50010534
(2-[2-(2-{2-[3-(4-Hydroxy-phenyl)-2-methylamino-pro...)Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC Show InChI InChI=1S/C50H81N15O9/c1-8-56-44(70)37(24-30(2)3)64-47(73)40(17-13-23-58-50(53)54)65(7)48(74)35(16-12-22-57-49(51)52)62-45(71)38(25-31(4)5)63-46(72)39(27-32-14-10-9-11-15-32)61-42(68)29-59-41(67)28-60-43(69)36(55-6)26-33-18-20-34(66)21-19-33/h9-11,14-15,18-21,30-31,35-40,55,66H,8,12-13,16-17,22-29H2,1-7H3,(H,56,70)(H,59,67)(H,60,69)(H,61,68)(H,62,71)(H,63,72)(H,64,73)(H4,51,52,57)(H4,53,54,58)/t35-,36-,37-,38-,39+,40-/m0/s1 | UniProtKB/SwissProt
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UniChem
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| PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
mu/kappa opioid receptor
(GUINEA PIG) | BDBM50010535
(2-{5-Guanidino-2-[(5-guanidino-2-{2-[2-(2-{2-[3-(4...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-28(2)22-34(41(49)67)61-45(71)38(15-11-21-56-48(52)53)63(6)46(72)33(14-10-20-55-47(50)51)60-43(69)36(23-29(3)4)62-44(70)37(25-30-12-8-7-9-13-30)59-40(66)27-57-39(65)26-58-42(68)35(54-5)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,28-29,33-38,54,64H,10-11,14-15,20-27H2,1-6H3,(H2,49,67)(H,57,65)(H,58,68)(H,59,66)(H,60,69)(H,61,71)(H,62,70)(H4,50,51,55)(H4,52,53,56)/t33-,34-,35-,36-,37+,38-/m0/s1 | UniProtKB/SwissProt
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| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
mu/kappa opioid receptor
(GUINEA PIG) | BDBM50010545
(2-{5-Guanidino-2-[(5-guanidino-2-{2-[2-(2-{2-[3-(4...)Show SMILES CCNC(=O)C(CC(C)C)NC(=O)C(CCC[N-]C(N)=[NH2+])N(C)C(=O)C(CCC[N-]C(N)=[NH2+])NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC Show InChI InChI=1S/C50H80N16O11/c1-8-56-44(71)37(23-29(2)3)64-47(74)40(12-10-22-58-50(53)54)65(7)48(75)35(11-9-21-57-49(51)52)62-45(72)38(24-30(4)5)63-46(73)39(26-31-13-17-33(18-14-31)66(76)77)61-42(69)28-59-41(68)27-60-43(70)36(55-6)25-32-15-19-34(67)20-16-32/h13-20,29-30,35-40,55H,8-12,21-28H2,1-7H3,(H16,51,52,53,54,56,57,58,59,60,61,62,63,64,67,68,69,70,71,72,73,74) | UniProtKB/SwissProt
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UniChem
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| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
mu/kappa opioid receptor
(GUINEA PIG) | BDBM50010540
(2-[2-(2-{2-[3-(4-Hydroxy-phenyl)-2-methylamino-pro...)Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC Show InChI InChI=1S/C49H79N15O9/c1-7-55-43(69)37(23-29(2)3)63-45(71)35(16-12-22-57-49(52)53)61-44(70)34(15-11-21-56-48(50)51)62-46(72)38(24-30(4)5)64-47(73)39(26-31-13-9-8-10-14-31)60-41(67)28-58-40(66)27-59-42(68)36(54-6)25-32-17-19-33(65)20-18-32/h8-10,13-14,17-20,29-30,34-39,54,65H,7,11-12,15-16,21-28H2,1-6H3,(H,55,69)(H,58,66)(H,59,68)(H,60,67)(H,61,70)(H,62,72)(H,63,71)(H,64,73)(H4,50,51,56)(H4,52,53,57)/t34-,35-,36-,37-,38-,39+/m0/s1 | UniProtKB/SwissProt
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UniChem
Similars
| PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (human)) | BDBM50010546
(2-{5-Guanidino-2-[5-guanidino-2-({2-[2-(2-{2-[3-(4...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-28(2)22-34(41(49)67)61-43(69)33(14-10-20-55-47(50)51)60-45(71)38(15-11-21-56-48(52)53)63(6)46(72)37(23-29(3)4)62-44(70)36(25-30-12-8-7-9-13-30)59-40(66)27-57-39(65)26-58-42(68)35(54-5)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,28-29,33-38,54,64H,10-11,14-15,20-27H2,1-6H3,(H2,49,67)(H,57,65)(H,58,68)(H,59,66)(H,60,71)(H,61,69)(H,62,70)(H4,50,51,55)(H4,52,53,56)/t33-,34-,35-,36+,37-,38-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.07 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
mu/kappa opioid receptor
(GUINEA PIG) | BDBM50010542
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)Show SMILES CNC(Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)NC(Cc1ccc(cc1)[N+]([O-])=O)C(=O)NC(CC(C)C)C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NC(CC(C)C)C(N)=O Show InChI InChI=1S/C47H74N16O11/c1-26(2)20-34(40(48)67)61-43(70)33(9-7-19-55-47(51)52)59-42(69)32(8-6-18-54-46(49)50)60-44(71)36(21-27(3)4)62-45(72)37(23-28-10-14-30(15-11-28)63(73)74)58-39(66)25-56-38(65)24-57-41(68)35(53-5)22-29-12-16-31(64)17-13-29/h10-17,26-27,32-37,53H,6-9,18-25H2,1-5H3,(H18,48,49,50,51,52,54,55,56,57,58,59,60,61,62,64,65,66,67,68,69,70,71,72) | UniProtKB/SwissProt
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PC sid
UniChem
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| PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
mu/kappa opioid receptor
(GUINEA PIG) | BDBM50010536
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C47H75N15O9/c1-27(2)21-34(40(48)66)61-43(69)33(14-10-20-55-47(51)52)59-42(68)32(13-9-19-54-46(49)50)60-44(70)36(22-28(3)4)62-45(71)37(24-29-11-7-6-8-12-29)58-39(65)26-56-38(64)25-57-41(67)35(53-5)23-30-15-17-31(63)18-16-30/h6-8,11-12,15-18,27-28,32-37,53,63H,9-10,13-14,19-26H2,1-5H3,(H2,48,66)(H,56,64)(H,57,67)(H,58,65)(H,59,68)(H,60,70)(H,61,69)(H,62,71)(H4,49,50,54)(H4,51,52,55)/t32-,33-,34-,35-,36-,37+/m0/s1 | UniProtKB/SwissProt
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UniChem
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| PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (human)) | BDBM50010535
(2-{5-Guanidino-2-[(5-guanidino-2-{2-[2-(2-{2-[3-(4...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-28(2)22-34(41(49)67)61-45(71)38(15-11-21-56-48(52)53)63(6)46(72)33(14-10-20-55-47(50)51)60-43(69)36(23-29(3)4)62-44(70)37(25-30-12-8-7-9-13-30)59-40(66)27-57-39(65)26-58-42(68)35(54-5)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,28-29,33-38,54,64H,10-11,14-15,20-27H2,1-6H3,(H2,49,67)(H,57,65)(H,58,68)(H,59,66)(H,60,69)(H,61,71)(H,62,70)(H4,50,51,55)(H4,52,53,56)/t33-,34-,35-,36-,37+,38-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (human)) | BDBM50010534
(2-[2-(2-{2-[3-(4-Hydroxy-phenyl)-2-methylamino-pro...)Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC Show InChI InChI=1S/C50H81N15O9/c1-8-56-44(70)37(24-30(2)3)64-47(73)40(17-13-23-58-50(53)54)65(7)48(74)35(16-12-22-57-49(51)52)62-45(71)38(25-31(4)5)63-46(72)39(27-32-14-10-9-11-15-32)61-42(68)29-59-41(67)28-60-43(69)36(55-6)26-33-18-20-34(66)21-19-33/h9-11,14-15,18-21,30-31,35-40,55,66H,8,12-13,16-17,22-29H2,1-7H3,(H,56,70)(H,59,67)(H,60,69)(H,61,68)(H,62,71)(H,63,72)(H,64,73)(H4,51,52,57)(H4,53,54,58)/t35-,36-,37-,38-,39+,40-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
mu/kappa opioid receptor
(GUINEA PIG) | BDBM50010543
(6-Guanidino-2-{2-[2-(2-{2-[3-(4-hydroxy-phenyl)-2-...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-28(2)22-35(41(49)67)62-44(70)34(15-11-21-56-48(52)53)60-43(69)33(14-9-10-20-55-47(50)51)61-45(71)37(23-29(3)4)63-46(72)38(25-30-12-7-6-8-13-30)59-40(66)27-57-39(65)26-58-42(68)36(54-5)24-31-16-18-32(64)19-17-31/h6-8,12-13,16-19,28-29,33-38,54,64H,9-11,14-15,20-27H2,1-5H3,(H2,49,67)(H,57,65)(H,58,68)(H,59,66)(H,60,69)(H,61,71)(H,62,70)(H,63,72)(H4,50,51,55)(H4,52,53,56)/t33-,34-,35-,36-,37-,38+/m0/s1 | UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50010538
(2-[2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C46H73N15O9/c1-5-27(4)38(39(48)65)61-42(68)33(14-10-20-54-46(51)52)58-41(67)32(13-9-19-53-45(49)50)59-43(69)34(21-26(2)3)60-44(70)35(23-28-11-7-6-8-12-28)57-37(64)25-55-36(63)24-56-40(66)31(47)22-29-15-17-30(62)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,62H,5,9-10,13-14,19-25,47H2,1-4H3,(H2,48,65)(H,55,63)(H,56,66)(H,57,64)(H,58,67)(H,59,69)(H,60,70)(H,61,68)(H4,49,50,53)(H4,51,52,54)/t27-,31-,32-,33-,34-,35+,38-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor delta 1 of mouse vas deferens (MVD). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50010545
(2-{5-Guanidino-2-[(5-guanidino-2-{2-[2-(2-{2-[3-(4...)Show SMILES CCNC(=O)C(CC(C)C)NC(=O)C(CCC[N-]C(N)=[NH2+])N(C)C(=O)C(CCC[N-]C(N)=[NH2+])NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC Show InChI InChI=1S/C50H80N16O11/c1-8-56-44(71)37(23-29(2)3)64-47(74)40(12-10-22-58-50(53)54)65(7)48(75)35(11-9-21-57-49(51)52)62-45(72)38(24-30(4)5)63-46(73)39(26-31-13-17-33(18-14-31)66(76)77)61-42(69)28-59-41(68)27-60-43(70)36(55-6)25-32-15-19-34(67)20-16-32/h13-20,29-30,35-40,55H,8-12,21-28H2,1-7H3,(H16,51,52,53,54,56,57,58,59,60,61,62,63,64,67,68,69,70,71,72,73,74) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor delta 1 of mouse vas deferens (MVD). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50010542
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)Show SMILES CNC(Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)NC(Cc1ccc(cc1)[N+]([O-])=O)C(=O)NC(CC(C)C)C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NC(CC(C)C)C(N)=O Show InChI InChI=1S/C47H74N16O11/c1-26(2)20-34(40(48)67)61-43(70)33(9-7-19-55-47(51)52)59-42(69)32(8-6-18-54-46(49)50)60-44(71)36(21-27(3)4)62-45(72)37(23-28-10-14-30(15-11-28)63(73)74)58-39(66)25-56-38(65)24-57-41(68)35(53-5)22-29-12-16-31(64)17-13-29/h10-17,26-27,32-37,53H,6-9,18-25H2,1-5H3,(H18,48,49,50,51,52,54,55,56,57,58,59,60,61,62,64,65,66,67,68,69,70,71,72) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor delta 1 of mouse vas deferens (MVD). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50010540
(2-[2-(2-{2-[3-(4-Hydroxy-phenyl)-2-methylamino-pro...)Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC Show InChI InChI=1S/C49H79N15O9/c1-7-55-43(69)37(23-29(2)3)63-45(71)35(16-12-22-57-49(52)53)61-44(70)34(15-11-21-56-48(50)51)62-46(72)38(24-30(4)5)64-47(73)39(26-31-13-9-8-10-14-31)60-41(67)28-58-40(66)27-59-42(68)36(54-6)25-32-17-19-33(65)20-18-32/h8-10,13-14,17-20,29-30,34-39,54,65H,7,11-12,15-16,21-28H2,1-6H3,(H,55,69)(H,58,66)(H,59,68)(H,60,67)(H,61,70)(H,62,72)(H,63,71)(H,64,73)(H4,50,51,56)(H4,52,53,57)/t34-,35-,36-,37-,38-,39+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor delta 1 of mouse vas deferens (MVD). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50010535
(2-{5-Guanidino-2-[(5-guanidino-2-{2-[2-(2-{2-[3-(4...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-28(2)22-34(41(49)67)61-45(71)38(15-11-21-56-48(52)53)63(6)46(72)33(14-10-20-55-47(50)51)60-43(69)36(23-29(3)4)62-44(70)37(25-30-12-8-7-9-13-30)59-40(66)27-57-39(65)26-58-42(68)35(54-5)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,28-29,33-38,54,64H,10-11,14-15,20-27H2,1-6H3,(H2,49,67)(H,57,65)(H,58,68)(H,59,66)(H,60,69)(H,61,71)(H,62,70)(H4,50,51,55)(H4,52,53,56)/t33-,34-,35-,36-,37+,38-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor delta 1 of mouse vas deferens (MVD). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (human)) | BDBM50010540
(2-[2-(2-{2-[3-(4-Hydroxy-phenyl)-2-methylamino-pro...)Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC Show InChI InChI=1S/C49H79N15O9/c1-7-55-43(69)37(23-29(2)3)63-45(71)35(16-12-22-57-49(52)53)61-44(70)34(15-11-21-56-48(50)51)62-46(72)38(24-30(4)5)64-47(73)39(26-31-13-9-8-10-14-31)60-41(67)28-58-40(66)27-59-42(68)36(54-6)25-32-17-19-33(65)20-18-32/h8-10,13-14,17-20,29-30,34-39,54,65H,7,11-12,15-16,21-28H2,1-6H3,(H,55,69)(H,58,66)(H,59,68)(H,60,67)(H,61,70)(H,62,72)(H,63,71)(H,64,73)(H4,50,51,56)(H4,52,53,57)/t34-,35-,36-,37-,38-,39+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50010536
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C47H75N15O9/c1-27(2)21-34(40(48)66)61-43(69)33(14-10-20-55-47(51)52)59-42(68)32(13-9-19-54-46(49)50)60-44(70)36(22-28(3)4)62-45(71)37(24-29-11-7-6-8-12-29)58-39(65)26-56-38(64)25-57-41(67)35(53-5)23-30-15-17-31(63)18-16-30/h6-8,11-12,15-18,27-28,32-37,53,63H,9-10,13-14,19-26H2,1-5H3,(H2,48,66)(H,56,64)(H,57,67)(H,58,65)(H,59,68)(H,60,70)(H,61,69)(H,62,71)(H4,49,50,54)(H4,51,52,55)/t32-,33-,34-,35-,36-,37+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor delta 1 of mouse vas deferens (MVD). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (human)) | BDBM50010542
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)Show SMILES CNC(Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)NC(Cc1ccc(cc1)[N+]([O-])=O)C(=O)NC(CC(C)C)C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NC(CC(C)C)C(N)=O Show InChI InChI=1S/C47H74N16O11/c1-26(2)20-34(40(48)67)61-43(70)33(9-7-19-55-47(51)52)59-42(69)32(8-6-18-54-46(49)50)60-44(71)36(21-27(3)4)62-45(72)37(23-28-10-14-30(15-11-28)63(73)74)58-39(66)25-56-38(65)24-57-41(68)35(53-5)22-29-12-16-31(64)17-13-29/h10-17,26-27,32-37,53H,6-9,18-25H2,1-5H3,(H18,48,49,50,51,52,54,55,56,57,58,59,60,61,62,64,65,66,67,68,69,70,71,72) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
mu/kappa opioid receptor
(GUINEA PIG) | BDBM50010548
(2-[2-(2-{2-[3-(4-Hydroxy-phenyl)-2-methylamino-pro...)Show SMILES CCCCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC Show InChI InChI=1S/C53H87N15O9/c1-7-8-9-13-24-59-47(73)41(27-33(2)3)67-49(75)39(19-15-26-61-53(56)57)65-48(74)38(18-14-25-60-52(54)55)66-50(76)42(28-34(4)5)68-51(77)43(30-35-16-11-10-12-17-35)64-45(71)32-62-44(70)31-63-46(72)40(58-6)29-36-20-22-37(69)23-21-36/h10-12,16-17,20-23,33-34,38-43,58,69H,7-9,13-15,18-19,24-32H2,1-6H3,(H,59,73)(H,62,70)(H,63,72)(H,64,71)(H,65,74)(H,66,76)(H,67,75)(H,68,77)(H4,54,55,60)(H4,56,57,61)/t38-,39-,40-,41-,42-,43+/m0/s1 | UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
mu/kappa opioid receptor
(GUINEA PIG) | BDBM50010531
(2-[2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C47H75N15O9/c1-26(2)21-35(39(49)65)61-43(69)34(14-10-20-55-47(52)53)59-42(68)33(13-9-19-54-46(50)51)60-44(70)36(22-27(3)4)62-45(71)37(24-29-11-7-6-8-12-29)58-38(64)25-56-40(66)28(5)57-41(67)32(48)23-30-15-17-31(63)18-16-30/h6-8,11-12,15-18,26-28,32-37,63H,9-10,13-14,19-25,48H2,1-5H3,(H2,49,65)(H,56,66)(H,57,67)(H,58,64)(H,59,68)(H,60,70)(H,61,69)(H,62,71)(H4,50,51,54)(H4,52,53,55)/t28-,32-,33-,34-,35-,36-,37-/m0/s1 | UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50010534
(2-[2-(2-{2-[3-(4-Hydroxy-phenyl)-2-methylamino-pro...)Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC Show InChI InChI=1S/C50H81N15O9/c1-8-56-44(70)37(24-30(2)3)64-47(73)40(17-13-23-58-50(53)54)65(7)48(74)35(16-12-22-57-49(51)52)62-45(71)38(25-31(4)5)63-46(72)39(27-32-14-10-9-11-15-32)61-42(68)29-59-41(67)28-60-43(69)36(55-6)26-33-18-20-34(66)21-19-33/h9-11,14-15,18-21,30-31,35-40,55,66H,8,12-13,16-17,22-29H2,1-7H3,(H,56,70)(H,59,67)(H,60,69)(H,61,68)(H,62,71)(H,63,72)(H,64,73)(H4,51,52,57)(H4,53,54,58)/t35-,36-,37-,38-,39+,40-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor delta 1 of mouse vas deferens (MVD). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50010531
(2-[2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C47H75N15O9/c1-26(2)21-35(39(49)65)61-43(69)34(14-10-20-55-47(52)53)59-42(68)33(13-9-19-54-46(50)51)60-44(70)36(22-27(3)4)62-45(71)37(24-29-11-7-6-8-12-29)58-38(64)25-56-40(66)28(5)57-41(67)32(48)23-30-15-17-31(63)18-16-30/h6-8,11-12,15-18,26-28,32-37,63H,9-10,13-14,19-25,48H2,1-5H3,(H2,49,65)(H,56,66)(H,57,67)(H,58,64)(H,59,68)(H,60,70)(H,61,69)(H,62,71)(H4,50,51,54)(H4,52,53,55)/t28-,32-,33-,34-,35-,36-,37-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor delta 1 of mouse vas deferens (MVD). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (human)) | BDBM50010545
(2-{5-Guanidino-2-[(5-guanidino-2-{2-[2-(2-{2-[3-(4...)Show SMILES CCNC(=O)C(CC(C)C)NC(=O)C(CCC[N-]C(N)=[NH2+])N(C)C(=O)C(CCC[N-]C(N)=[NH2+])NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC Show InChI InChI=1S/C50H80N16O11/c1-8-56-44(71)37(23-29(2)3)64-47(74)40(12-10-22-58-50(53)54)65(7)48(75)35(11-9-21-57-49(51)52)62-45(72)38(24-30(4)5)63-46(73)39(26-31-13-17-33(18-14-31)66(76)77)61-42(69)28-59-41(68)27-60-43(70)36(55-6)25-32-15-19-34(67)20-16-32/h13-20,29-30,35-40,55H,8-12,21-28H2,1-7H3,(H16,51,52,53,54,56,57,58,59,60,61,62,63,64,67,68,69,70,71,72,73,74) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
mu/kappa opioid receptor
(GUINEA PIG) | BDBM50010547
(2-{5-Guanidino-2-[5-guanidino-2-(2-{[2-(2-{2-[3-(4...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-28(2)22-35(41(49)67)62-44(70)33(14-10-20-55-47(50)51)60-43(69)34(15-11-21-56-48(52)53)61-45(71)38(23-29(3)4)63(6)46(72)37(25-30-12-8-7-9-13-30)59-40(66)27-57-39(65)26-58-42(68)36(54-5)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,28-29,33-38,54,64H,10-11,14-15,20-27H2,1-6H3,(H2,49,67)(H,57,65)(H,58,68)(H,59,66)(H,60,69)(H,61,71)(H,62,70)(H4,50,51,55)(H4,52,53,56)/t33-,34-,35-,36-,37+,38-/m0/s1 | UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50010543
(6-Guanidino-2-{2-[2-(2-{2-[3-(4-hydroxy-phenyl)-2-...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-28(2)22-35(41(49)67)62-44(70)34(15-11-21-56-48(52)53)60-43(69)33(14-9-10-20-55-47(50)51)61-45(71)37(23-29(3)4)63-46(72)38(25-30-12-7-6-8-13-30)59-40(66)27-57-39(65)26-58-42(68)36(54-5)24-31-16-18-32(64)19-17-31/h6-8,12-13,16-19,28-29,33-38,54,64H,9-11,14-15,20-27H2,1-5H3,(H2,49,67)(H,57,65)(H,58,68)(H,59,66)(H,60,69)(H,61,71)(H,62,70)(H,63,72)(H4,50,51,55)(H4,52,53,56)/t33-,34-,35-,36-,37-,38+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor delta 1 of mouse vas deferens (MVD). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
mu/kappa opioid receptor
(GUINEA PIG) | BDBM50010541
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-27(2)22-35(40(49)66)61-44(70)34(15-11-21-56-48(52)53)59-43(69)33(14-10-20-55-47(50)51)60-45(71)37(23-28(3)4)63-46(72)38(25-30-12-8-7-9-13-30)62-41(67)29(5)58-39(65)26-57-42(68)36(54-6)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,27-29,33-38,54,64H,10-11,14-15,20-26H2,1-6H3,(H2,49,66)(H,57,68)(H,58,65)(H,59,69)(H,60,71)(H,61,70)(H,62,67)(H,63,72)(H4,50,51,55)(H4,52,53,56)/t29-,33+,34+,35+,36+,37+,38+/m1/s1 | UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
mu/kappa opioid receptor
(GUINEA PIG) | BDBM50010537
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-27(2)22-35(40(49)66)62-43(69)34(15-11-21-56-48(52)53)60-42(68)33(14-10-20-55-47(50)51)61-45(71)37(23-28(3)4)63-46(72)38(25-30-12-8-7-9-13-30)59-39(65)26-57-41(67)29(5)58-44(70)36(54-6)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,27-29,33-38,54,64H,10-11,14-15,20-26H2,1-6H3,(H2,49,66)(H,57,67)(H,58,70)(H,59,65)(H,60,68)(H,61,71)(H,62,69)(H,63,72)(H4,50,51,55)(H4,52,53,56)/t29-,33-,34-,35-,36-,37-,38-/m0/s1 | UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (human)) | BDBM50010536
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C47H75N15O9/c1-27(2)21-34(40(48)66)61-43(69)33(14-10-20-55-47(51)52)59-42(68)32(13-9-19-54-46(49)50)60-44(70)36(22-28(3)4)62-45(71)37(24-29-11-7-6-8-12-29)58-39(65)26-56-38(64)25-57-41(67)35(53-5)23-30-15-17-31(63)18-16-30/h6-8,11-12,15-18,27-28,32-37,53,63H,9-10,13-14,19-26H2,1-5H3,(H2,48,66)(H,56,64)(H,57,67)(H,58,65)(H,59,68)(H,60,70)(H,61,69)(H,62,71)(H4,49,50,54)(H4,51,52,55)/t32-,33-,34-,35-,36-,37+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 14.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (human)) | BDBM50010538
(2-[2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C46H73N15O9/c1-5-27(4)38(39(48)65)61-42(68)33(14-10-20-54-46(51)52)58-41(67)32(13-9-19-53-45(49)50)59-43(69)34(21-26(2)3)60-44(70)35(23-28-11-7-6-8-12-28)57-37(64)25-55-36(63)24-56-40(66)31(47)22-29-15-17-30(62)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,62H,5,9-10,13-14,19-25,47H2,1-4H3,(H2,48,65)(H,55,63)(H,56,66)(H,57,64)(H,58,67)(H,59,69)(H,60,70)(H,61,68)(H4,49,50,53)(H4,51,52,54)/t27-,31-,32-,33-,34-,35+,38-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 17.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
mu/kappa opioid receptor
(GUINEA PIG) | BDBM50010539
(CHEMBL406034 | MeTyr-Gly-Azgly-Phe-Leu-Arg-Arg-D-L...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NNC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C46H74N16O9/c1-26(2)21-33(38(47)65)58-41(68)32(14-10-20-54-45(50)51)56-40(67)31(13-9-19-53-44(48)49)57-42(69)35(22-27(3)4)59-43(70)36(24-28-11-7-6-8-12-28)60-46(71)62-61-37(64)25-55-39(66)34(52-5)23-29-15-17-30(63)18-16-29/h6-8,11-12,15-18,26-27,31-36,52,63H,9-10,13-14,19-25H2,1-5H3,(H2,47,65)(H,55,66)(H,56,67)(H,57,69)(H,58,68)(H,59,70)(H,61,64)(H4,48,49,53)(H4,50,51,54)(H2,60,62,71)/t31-,32-,33-,34-,35-,36-/m0/s1 | UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (human)) | BDBM50010548
(2-[2-(2-{2-[3-(4-Hydroxy-phenyl)-2-methylamino-pro...)Show SMILES CCCCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC Show InChI InChI=1S/C53H87N15O9/c1-7-8-9-13-24-59-47(73)41(27-33(2)3)67-49(75)39(19-15-26-61-53(56)57)65-48(74)38(18-14-25-60-52(54)55)66-50(76)42(28-34(4)5)68-51(77)43(30-35-16-11-10-12-17-35)64-45(71)32-62-44(70)31-63-46(72)40(58-6)29-36-20-22-37(69)23-21-36/h10-12,16-17,20-23,33-34,38-43,58,69H,7-9,13-15,18-19,24-32H2,1-6H3,(H,59,73)(H,62,70)(H,63,72)(H,64,71)(H,65,74)(H,66,76)(H,67,75)(H,68,77)(H4,54,55,60)(H4,56,57,61)/t38-,39-,40-,41-,42-,43+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
mu/kappa opioid receptor
(GUINEA PIG) | BDBM50010546
(2-{5-Guanidino-2-[5-guanidino-2-({2-[2-(2-{2-[3-(4...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-28(2)22-34(41(49)67)61-43(69)33(14-10-20-55-47(50)51)60-45(71)38(15-11-21-56-48(52)53)63(6)46(72)37(23-29(3)4)62-44(70)36(25-30-12-8-7-9-13-30)59-40(66)27-57-39(65)26-58-42(68)35(54-5)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,28-29,33-38,54,64H,10-11,14-15,20-27H2,1-6H3,(H2,49,67)(H,57,65)(H,58,68)(H,59,66)(H,60,71)(H,61,69)(H,62,70)(H4,50,51,55)(H4,52,53,56)/t33-,34-,35-,36+,37-,38-/m0/s1 | UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50010548
(2-[2-(2-{2-[3-(4-Hydroxy-phenyl)-2-methylamino-pro...)Show SMILES CCCCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC Show InChI InChI=1S/C53H87N15O9/c1-7-8-9-13-24-59-47(73)41(27-33(2)3)67-49(75)39(19-15-26-61-53(56)57)65-48(74)38(18-14-25-60-52(54)55)66-50(76)42(28-34(4)5)68-51(77)43(30-35-16-11-10-12-17-35)64-45(71)32-62-44(70)31-63-46(72)40(58-6)29-36-20-22-37(69)23-21-36/h10-12,16-17,20-23,33-34,38-43,58,69H,7-9,13-15,18-19,24-32H2,1-6H3,(H,59,73)(H,62,70)(H,63,72)(H,64,71)(H,65,74)(H,66,76)(H,67,75)(H,68,77)(H4,54,55,60)(H4,56,57,61)/t38-,39-,40-,41-,42-,43+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 22.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor delta 1 of mouse vas deferens (MVD). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (human)) | BDBM50010543
(6-Guanidino-2-{2-[2-(2-{2-[3-(4-hydroxy-phenyl)-2-...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-28(2)22-35(41(49)67)62-44(70)34(15-11-21-56-48(52)53)60-43(69)33(14-9-10-20-55-47(50)51)61-45(71)37(23-29(3)4)63-46(72)38(25-30-12-7-6-8-13-30)59-40(66)27-57-39(65)26-58-42(68)36(54-5)24-31-16-18-32(64)19-17-31/h6-8,12-13,16-19,28-29,33-38,54,64H,9-11,14-15,20-27H2,1-5H3,(H2,49,67)(H,57,65)(H,58,68)(H,59,66)(H,60,69)(H,61,71)(H,62,70)(H,63,72)(H4,50,51,55)(H4,52,53,56)/t33-,34-,35-,36-,37-,38+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50010547
(2-{5-Guanidino-2-[5-guanidino-2-(2-{[2-(2-{2-[3-(4...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-28(2)22-35(41(49)67)62-44(70)33(14-10-20-55-47(50)51)60-43(69)34(15-11-21-56-48(52)53)61-45(71)38(23-29(3)4)63(6)46(72)37(25-30-12-8-7-9-13-30)59-40(66)27-57-39(65)26-58-42(68)36(54-5)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,28-29,33-38,54,64H,10-11,14-15,20-27H2,1-6H3,(H2,49,67)(H,57,65)(H,58,68)(H,59,66)(H,60,69)(H,61,71)(H,62,70)(H4,50,51,55)(H4,52,53,56)/t33-,34-,35-,36-,37+,38-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 25.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor delta 1 of mouse vas deferens (MVD). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50010537
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-27(2)22-35(40(49)66)62-43(69)34(15-11-21-56-48(52)53)60-42(68)33(14-10-20-55-47(50)51)61-45(71)37(23-28(3)4)63-46(72)38(25-30-12-8-7-9-13-30)59-39(65)26-57-41(67)29(5)58-44(70)36(54-6)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,27-29,33-38,54,64H,10-11,14-15,20-26H2,1-6H3,(H2,49,66)(H,57,67)(H,58,70)(H,59,65)(H,60,68)(H,61,71)(H,62,69)(H,63,72)(H4,50,51,55)(H4,52,53,56)/t29-,33-,34-,35-,36-,37-,38-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 25.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor delta 1 of mouse vas deferens (MVD). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
mu/kappa opioid receptor
(GUINEA PIG) | BDBM50010544
(2-{5-Guanidino-2-[5-guanidino-2-(2-{2-[(2-{2-[3-(4...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-28(2)22-35(41(49)67)61-44(70)34(15-11-21-56-48(52)53)59-43(69)33(14-10-20-55-47(50)51)60-45(71)37(23-29(3)4)62-46(72)38(25-30-12-8-7-9-13-30)63(6)40(66)27-57-39(65)26-58-42(68)36(54-5)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,28-29,33-38,54,64H,10-11,14-15,20-27H2,1-6H3,(H2,49,67)(H,57,65)(H,58,68)(H,59,69)(H,60,71)(H,61,70)(H,62,72)(H4,50,51,55)(H4,52,53,56)/t33-,34-,35-,36-,37-,38-/m0/s1 | UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (human)) | BDBM50010531
(2-[2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C47H75N15O9/c1-26(2)21-35(39(49)65)61-43(69)34(14-10-20-55-47(52)53)59-42(68)33(13-9-19-54-46(50)51)60-44(70)36(22-27(3)4)62-45(71)37(24-29-11-7-6-8-12-29)58-38(64)25-56-40(66)28(5)57-41(67)32(48)23-30-15-17-31(63)18-16-30/h6-8,11-12,15-18,26-28,32-37,63H,9-10,13-14,19-25,48H2,1-5H3,(H2,49,65)(H,56,66)(H,57,67)(H,58,64)(H,59,68)(H,60,70)(H,61,69)(H,62,71)(H4,50,51,54)(H4,52,53,55)/t28-,32-,33-,34-,35-,36-,37-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 45.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50010539
(CHEMBL406034 | MeTyr-Gly-Azgly-Phe-Leu-Arg-Arg-D-L...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NNC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C46H74N16O9/c1-26(2)21-33(38(47)65)58-41(68)32(14-10-20-54-45(50)51)56-40(67)31(13-9-19-53-44(48)49)57-42(69)35(22-27(3)4)59-43(70)36(24-28-11-7-6-8-12-28)60-46(71)62-61-37(64)25-55-39(66)34(52-5)23-29-15-17-30(63)18-16-29/h6-8,11-12,15-18,26-27,31-36,52,63H,9-10,13-14,19-25H2,1-5H3,(H2,47,65)(H,55,66)(H,56,67)(H,57,69)(H,58,68)(H,59,70)(H,61,64)(H4,48,49,53)(H4,50,51,54)(H2,60,62,71)/t31-,32-,33-,34-,35-,36-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 62.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor delta 1 of mouse vas deferens (MVD). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
mu/kappa opioid receptor
(GUINEA PIG) | BDBM50000092
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
mu/kappa opioid receptor
(GUINEA PIG) | BDBM50010549
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C47H75N15O9/c1-27(2)21-34(40(48)66)61-43(69)33(14-10-20-55-47(51)52)59-42(68)32(13-9-19-54-46(49)50)60-44(70)36(22-28(3)4)62-45(71)37(24-29-11-7-6-8-12-29)58-39(65)26-56-38(64)25-57-41(67)35(53-5)23-30-15-17-31(63)18-16-30/h6-8,11-12,15-18,27-28,32-37,53,63H,9-10,13-14,19-26H2,1-5H3,(H2,48,66)(H,56,64)(H,57,67)(H,58,65)(H,59,68)(H,60,70)(H,61,69)(H,62,71)(H4,49,50,54)(H4,51,52,55)/t32-,33-,34-,35-,36+,37+/m0/s1 | UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (human)) | BDBM50010537
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-27(2)22-35(40(49)66)62-43(69)34(15-11-21-56-48(52)53)60-42(68)33(14-10-20-55-47(50)51)61-45(71)37(23-28(3)4)63-46(72)38(25-30-12-8-7-9-13-30)59-39(65)26-57-41(67)29(5)58-44(70)36(54-6)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,27-29,33-38,54,64H,10-11,14-15,20-26H2,1-6H3,(H2,49,66)(H,57,67)(H,58,70)(H,59,65)(H,60,68)(H,61,71)(H,62,69)(H,63,72)(H4,50,51,55)(H4,52,53,56)/t29-,33-,34-,35-,36-,37-,38-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 85.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50010546
(2-{5-Guanidino-2-[5-guanidino-2-({2-[2-(2-{2-[3-(4...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-28(2)22-34(41(49)67)61-43(69)33(14-10-20-55-47(50)51)60-45(71)38(15-11-21-56-48(52)53)63(6)46(72)37(23-29(3)4)62-44(70)36(25-30-12-8-7-9-13-30)59-40(66)27-57-39(65)26-58-42(68)35(54-5)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,28-29,33-38,54,64H,10-11,14-15,20-27H2,1-6H3,(H2,49,67)(H,57,65)(H,58,68)(H,59,66)(H,60,71)(H,61,69)(H,62,70)(H4,50,51,55)(H4,52,53,56)/t33-,34-,35-,36+,37-,38-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 114 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor delta 1 of mouse vas deferens (MVD). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50010544
(2-{5-Guanidino-2-[5-guanidino-2-(2-{2-[(2-{2-[3-(4...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-28(2)22-35(41(49)67)61-44(70)34(15-11-21-56-48(52)53)59-43(69)33(14-10-20-55-47(50)51)60-45(71)37(23-29(3)4)62-46(72)38(25-30-12-8-7-9-13-30)63(6)40(66)27-57-39(65)26-58-42(68)36(54-5)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,28-29,33-38,54,64H,10-11,14-15,20-27H2,1-6H3,(H2,49,67)(H,57,65)(H,58,68)(H,59,69)(H,60,71)(H,61,70)(H,62,72)(H4,50,51,55)(H4,52,53,56)/t33-,34-,35-,36-,37-,38-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 121 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor delta 1 of mouse vas deferens (MVD). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (human)) | BDBM50010541
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-27(2)22-35(40(49)66)61-44(70)34(15-11-21-56-48(52)53)59-43(69)33(14-10-20-55-47(50)51)60-45(71)37(23-28(3)4)63-46(72)38(25-30-12-8-7-9-13-30)62-41(67)29(5)58-39(65)26-57-42(68)36(54-6)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,27-29,33-38,54,64H,10-11,14-15,20-26H2,1-6H3,(H2,49,66)(H,57,68)(H,58,65)(H,59,69)(H,60,71)(H,61,70)(H,62,67)(H,63,72)(H4,50,51,55)(H4,52,53,56)/t29-,33+,34+,35+,36+,37+,38+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (human)) | BDBM50010539
(CHEMBL406034 | MeTyr-Gly-Azgly-Phe-Leu-Arg-Arg-D-L...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NNC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C46H74N16O9/c1-26(2)21-33(38(47)65)58-41(68)32(14-10-20-54-45(50)51)56-40(67)31(13-9-19-53-44(48)49)57-42(69)35(22-27(3)4)59-43(70)36(24-28-11-7-6-8-12-28)60-46(71)62-61-37(64)25-55-39(66)34(52-5)23-29-15-17-30(63)18-16-29/h6-8,11-12,15-18,26-27,31-36,52,63H,9-10,13-14,19-25H2,1-5H3,(H2,47,65)(H,55,66)(H,56,67)(H,57,69)(H,58,68)(H,59,70)(H,61,64)(H4,48,49,53)(H4,50,51,54)(H2,60,62,71)/t31-,32-,33-,34-,35-,36-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 152 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (human)) | BDBM50010547
(2-{5-Guanidino-2-[5-guanidino-2-(2-{[2-(2-{2-[3-(4...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-28(2)22-35(41(49)67)62-44(70)33(14-10-20-55-47(50)51)60-43(69)34(15-11-21-56-48(52)53)61-45(71)38(23-29(3)4)63(6)46(72)37(25-30-12-8-7-9-13-30)59-40(66)27-57-39(65)26-58-42(68)36(54-5)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,28-29,33-38,54,64H,10-11,14-15,20-27H2,1-6H3,(H2,49,67)(H,57,65)(H,58,68)(H,59,66)(H,60,69)(H,61,71)(H,62,70)(H4,50,51,55)(H4,52,53,56)/t33-,34-,35-,36-,37+,38-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 189 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50010541
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-27(2)22-35(40(49)66)61-44(70)34(15-11-21-56-48(52)53)59-43(69)33(14-10-20-55-47(50)51)60-45(71)37(23-28(3)4)63-46(72)38(25-30-12-8-7-9-13-30)62-41(67)29(5)58-39(65)26-57-42(68)36(54-6)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,27-29,33-38,54,64H,10-11,14-15,20-26H2,1-6H3,(H2,49,66)(H,57,68)(H,58,65)(H,59,69)(H,60,71)(H,61,70)(H,62,67)(H,63,72)(H4,50,51,55)(H4,52,53,56)/t29-,33+,34+,35+,36+,37+,38+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor delta 1 of mouse vas deferens (MVD). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (human)) | BDBM50010544
(2-{5-Guanidino-2-[5-guanidino-2-(2-{2-[(2-{2-[3-(4...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-28(2)22-35(41(49)67)61-44(70)34(15-11-21-56-48(52)53)59-43(69)33(14-10-20-55-47(50)51)60-45(71)37(23-29(3)4)62-46(72)38(25-30-12-8-7-9-13-30)63(6)40(66)27-57-39(65)26-58-42(68)36(54-5)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,28-29,33-38,54,64H,10-11,14-15,20-27H2,1-6H3,(H2,49,67)(H,57,65)(H,58,68)(H,59,69)(H,60,71)(H,61,70)(H,62,72)(H4,50,51,55)(H4,52,53,56)/t33-,34-,35-,36-,37-,38-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 301 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50000092
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 736 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor delta 1 of mouse vas deferens (MVD). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (human)) | BDBM50010533
(2-{2-[2-(2-{2-[2-(2-{[2-Amino-3-(4-hydroxy-phenyl)...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C47H75N15O9/c1-27(2)21-35(40(49)66)60-42(68)34(14-10-20-55-47(52)53)58-41(67)33(13-9-19-54-46(50)51)59-43(69)36(22-28(3)4)61-44(70)37(24-29-11-7-6-8-12-29)57-38(64)25-56-39(65)26-62(5)45(71)32(48)23-30-15-17-31(63)18-16-30/h6-8,11-12,15-18,27-28,32-37,63H,9-10,13-14,19-26,48H2,1-5H3,(H2,49,66)(H,56,65)(H,57,64)(H,58,67)(H,59,69)(H,60,68)(H,61,70)(H4,50,51,54)(H4,52,53,55)/t32-,33-,34-,35-,36-,37-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 738 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
mu/kappa opioid receptor
(GUINEA PIG) | BDBM50010533
(2-{2-[2-(2-{2-[2-(2-{[2-Amino-3-(4-hydroxy-phenyl)...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C47H75N15O9/c1-27(2)21-35(40(49)66)60-42(68)34(14-10-20-55-47(52)53)58-41(67)33(13-9-19-54-46(50)51)59-43(69)36(22-28(3)4)61-44(70)37(24-29-11-7-6-8-12-29)57-38(64)25-56-39(65)26-62(5)45(71)32(48)23-30-15-17-31(63)18-16-30/h6-8,11-12,15-18,27-28,32-37,63H,9-10,13-14,19-26,48H2,1-5H3,(H2,49,66)(H,56,65)(H,57,64)(H,58,67)(H,59,69)(H,60,68)(H,61,70)(H4,50,51,54)(H4,52,53,55)/t32-,33-,34-,35-,36-,37-/m0/s1 | UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 897 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (human)) | BDBM50010549
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C47H75N15O9/c1-27(2)21-34(40(48)66)61-43(69)33(14-10-20-55-47(51)52)59-42(68)32(13-9-19-54-46(49)50)60-44(70)36(22-28(3)4)62-45(71)37(24-29-11-7-6-8-12-29)58-39(65)26-56-38(64)25-57-41(67)35(53-5)23-30-15-17-31(63)18-16-30/h6-8,11-12,15-18,27-28,32-37,53,63H,9-10,13-14,19-26H2,1-5H3,(H2,48,66)(H,56,64)(H,57,67)(H,58,65)(H,59,68)(H,60,70)(H,61,69)(H,62,71)(H4,49,50,54)(H4,51,52,55)/t32-,33-,34-,35-,36+,37+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50010549
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C47H75N15O9/c1-27(2)21-34(40(48)66)61-43(69)33(14-10-20-55-47(51)52)59-42(68)32(13-9-19-54-46(49)50)60-44(70)36(22-28(3)4)62-45(71)37(24-29-11-7-6-8-12-29)58-39(65)26-56-38(64)25-57-41(67)35(53-5)23-30-15-17-31(63)18-16-30/h6-8,11-12,15-18,27-28,32-37,53,63H,9-10,13-14,19-26H2,1-5H3,(H2,48,66)(H,56,64)(H,57,67)(H,58,65)(H,59,68)(H,60,70)(H,61,69)(H,62,71)(H4,49,50,54)(H4,51,52,55)/t32-,33-,34-,35-,36+,37+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor delta 1 of mouse vas deferens (MVD). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50010533
(2-{2-[2-(2-{2-[2-(2-{[2-Amino-3-(4-hydroxy-phenyl)...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C47H75N15O9/c1-27(2)21-35(40(49)66)60-42(68)34(14-10-20-55-47(52)53)58-41(67)33(13-9-19-54-46(50)51)59-43(69)36(22-28(3)4)61-44(70)37(24-29-11-7-6-8-12-29)57-38(64)25-56-39(65)26-62(5)45(71)32(48)23-30-15-17-31(63)18-16-30/h6-8,11-12,15-18,27-28,32-37,63H,9-10,13-14,19-26,48H2,1-5H3,(H2,49,66)(H,56,65)(H,57,64)(H,58,67)(H,59,69)(H,60,68)(H,61,70)(H4,50,51,54)(H4,52,53,55)/t32-,33-,34-,35-,36-,37-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor delta 1 of mouse vas deferens (MVD). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (human)) | BDBM50010529
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C47H75N15O9/c1-27(2)21-34(40(48)66)61-43(69)33(14-10-20-55-47(51)52)59-42(68)32(13-9-19-54-46(49)50)60-44(70)36(22-28(3)4)62-45(71)37(24-29-11-7-6-8-12-29)58-39(65)26-56-38(64)25-57-41(67)35(53-5)23-30-15-17-31(63)18-16-30/h6-8,11-12,15-18,27-28,32-37,53,63H,9-10,13-14,19-26H2,1-5H3,(H2,48,66)(H,56,64)(H,57,67)(H,58,65)(H,59,68)(H,60,70)(H,61,69)(H,62,71)(H4,49,50,54)(H4,51,52,55)/t32-,33-,34-,35-,36-,37-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
mu/kappa opioid receptor
(GUINEA PIG) | BDBM50010529
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C47H75N15O9/c1-27(2)21-34(40(48)66)61-43(69)33(14-10-20-55-47(51)52)59-42(68)32(13-9-19-54-46(49)50)60-44(70)36(22-28(3)4)62-45(71)37(24-29-11-7-6-8-12-29)58-39(65)26-56-38(64)25-57-41(67)35(53-5)23-30-15-17-31(63)18-16-30/h6-8,11-12,15-18,27-28,32-37,53,63H,9-10,13-14,19-26H2,1-5H3,(H2,48,66)(H,56,64)(H,57,67)(H,58,65)(H,59,68)(H,60,70)(H,61,69)(H,62,71)(H4,49,50,54)(H4,51,52,55)/t32-,33-,34-,35-,36-,37-/m0/s1 | UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
mu/kappa opioid receptor
(GUINEA PIG) | BDBM50010530
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C44H69N15O9/c1-25(2)20-32(37(45)63)59-41(67)31(13-9-19-52-44(48)49)58-40(66)30(12-8-18-51-43(46)47)57-38(64)26(3)55-42(68)34(22-27-10-6-5-7-11-27)56-36(62)24-53-35(61)23-54-39(65)33(50-4)21-28-14-16-29(60)17-15-28/h5-7,10-11,14-17,25-26,30-34,50,60H,8-9,12-13,18-24H2,1-4H3,(H2,45,63)(H,53,61)(H,54,65)(H,55,68)(H,56,62)(H,57,64)(H,58,66)(H,59,67)(H4,46,47,51)(H4,48,49,52)/t26-,30+,31+,32+,33+,34-/m1/s1 | UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50010530
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C44H69N15O9/c1-25(2)20-32(37(45)63)59-41(67)31(13-9-19-52-44(48)49)58-40(66)30(12-8-18-51-43(46)47)57-38(64)26(3)55-42(68)34(22-27-10-6-5-7-11-27)56-36(62)24-53-35(61)23-54-39(65)33(50-4)21-28-14-16-29(60)17-15-28/h5-7,10-11,14-17,25-26,30-34,50,60H,8-9,12-13,18-24H2,1-4H3,(H2,45,63)(H,53,61)(H,54,65)(H,55,68)(H,56,62)(H,57,64)(H,58,66)(H,59,67)(H4,46,47,51)(H4,48,49,52)/t26-,30+,31+,32+,33+,34-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor delta 1 of mouse vas deferens (MVD). |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (human)) | BDBM50010530
(2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C44H69N15O9/c1-25(2)20-32(37(45)63)59-41(67)31(13-9-19-52-44(48)49)58-40(66)30(12-8-18-51-43(46)47)57-38(64)26(3)55-42(68)34(22-27-10-6-5-7-11-27)56-36(62)24-53-35(61)23-54-39(65)33(50-4)21-28-14-16-29(60)17-15-28/h5-7,10-11,14-17,25-26,30-34,50,60H,8-9,12-13,18-24H2,1-4H3,(H2,45,63)(H,53,61)(H,54,65)(H,55,68)(H,56,62)(H,57,64)(H,58,66)(H,59,67)(H4,46,47,51)(H4,48,49,52)/t26-,30+,31+,32+,33+,34-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD) |
Citation and Details
|
More data for this
Ligand-Target Pair | |
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