Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50016638 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
(Homo sapiens (Human)) | BDBM50325534
(CHEMBL267495 | nalfurafine)Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 0.0190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128527 BindingDB Entry DOI: 10.7270/Q2HT2TDM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50596292
(CHEMBL5185211)Show SMILES [H][C@]12Oc3c4c(C[C@]5([H])C(CC[C@H]1N(C)C(=O)\C=C\c1ccoc1)[C@]24CCN5CC1CC1)ccc3O |r,THB:28:27:9:4.5.6| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0272 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128527 BindingDB Entry DOI: 10.7270/Q2HT2TDM |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50596293
(CHEMBL5188658)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14C5=CC[C@H]2N(C)C(=O)\C=C\c1ccoc1)ccc3O |r,t:21,THB:10:9:17:4.5.6| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0356 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128527 BindingDB Entry DOI: 10.7270/Q2HT2TDM |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50596292
(CHEMBL5185211)Show SMILES [H][C@]12Oc3c4c(C[C@]5([H])C(CC[C@H]1N(C)C(=O)\C=C\c1ccoc1)[C@]24CCN5CC1CC1)ccc3O |r,THB:28:27:9:4.5.6| | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128527 BindingDB Entry DOI: 10.7270/Q2HT2TDM |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50325534
(CHEMBL267495 | nalfurafine)Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128527 BindingDB Entry DOI: 10.7270/Q2HT2TDM |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50596293
(CHEMBL5188658)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14C5=CC[C@H]2N(C)C(=O)\C=C\c1ccoc1)ccc3O |r,t:21,THB:10:9:17:4.5.6| | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128527 BindingDB Entry DOI: 10.7270/Q2HT2TDM |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50596292
(CHEMBL5185211)Show SMILES [H][C@]12Oc3c4c(C[C@]5([H])C(CC[C@H]1N(C)C(=O)\C=C\c1ccoc1)[C@]24CCN5CC1CC1)ccc3O |r,THB:28:27:9:4.5.6| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128527 BindingDB Entry DOI: 10.7270/Q2HT2TDM |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50596291
(CHEMBL5188128)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14C5=CC[C@H]2N(C)C(=O)\C=C\c1ccoc1)ccc3OC |r,t:21,THB:10:9:5.6.4:17| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128527 BindingDB Entry DOI: 10.7270/Q2HT2TDM |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50596293
(CHEMBL5188658)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14C5=CC[C@H]2N(C)C(=O)\C=C\c1ccoc1)ccc3O |r,t:21,THB:10:9:17:4.5.6| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128527 BindingDB Entry DOI: 10.7270/Q2HT2TDM |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50596290
(CHEMBL5191293)Show SMILES [H][C@]12Oc3c4c(C[C@]5([H])C(CC[C@H]1N(C)C(=O)\C=C\c1ccoc1)[C@]24CCN5CC1CC1)ccc3OC |r,THB:28:27:9:4.5.6| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128527 BindingDB Entry DOI: 10.7270/Q2HT2TDM |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50596293
(CHEMBL5188658)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14C5=CC[C@H]2N(C)C(=O)\C=C\c1ccoc1)ccc3O |r,t:21,THB:10:9:17:4.5.6| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128527 BindingDB Entry DOI: 10.7270/Q2HT2TDM |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50325534
(CHEMBL267495 | nalfurafine)Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128527 BindingDB Entry DOI: 10.7270/Q2HT2TDM |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50596292
(CHEMBL5185211)Show SMILES [H][C@]12Oc3c4c(C[C@]5([H])C(CC[C@H]1N(C)C(=O)\C=C\c1ccoc1)[C@]24CCN5CC1CC1)ccc3O |r,THB:28:27:9:4.5.6| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 218 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128527 BindingDB Entry DOI: 10.7270/Q2HT2TDM |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50596296
(CHEMBL5181937)Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5([H])[C@@H](CCC1[C@@]5(CN2CC1CC1)c34)N(C)C(=O)\C=C\c1ccoc1 |r,THB:19:18:15:2.3.23| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 283 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128527 BindingDB Entry DOI: 10.7270/Q2HT2TDM |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50596297
(CHEMBL5186673)Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5([H])[C@@H](CC=C1[C@@]5(CN2CC1CC1)c34)N(C)C(=O)\C=C\c1ccoc1 |r,t:14,THB:19:18:15:2.3.23| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128527 BindingDB Entry DOI: 10.7270/Q2HT2TDM |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50596298
(CHEMBL5204400)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)C[C@@]14[C@@]5(O)CC[C@H]2N(C)C(=O)\C=C\c1ccoc1)ccc3O |r,TLB:10:9:16:6.5.4| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128527 BindingDB Entry DOI: 10.7270/Q2HT2TDM |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50596298
(CHEMBL5204400)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)C[C@@]14[C@@]5(O)CC[C@H]2N(C)C(=O)\C=C\c1ccoc1)ccc3O |r,TLB:10:9:16:6.5.4| | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128527 BindingDB Entry DOI: 10.7270/Q2HT2TDM |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50596298
(CHEMBL5204400)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)C[C@@]14[C@@]5(O)CC[C@H]2N(C)C(=O)\C=C\c1ccoc1)ccc3O |r,TLB:10:9:16:6.5.4| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128527 BindingDB Entry DOI: 10.7270/Q2HT2TDM |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50596297
(CHEMBL5186673)Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5([H])[C@@H](CC=C1[C@@]5(CN2CC1CC1)c34)N(C)C(=O)\C=C\c1ccoc1 |r,t:14,THB:19:18:15:2.3.23| | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128527 BindingDB Entry DOI: 10.7270/Q2HT2TDM |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50596297
(CHEMBL5186673)Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5([H])[C@@H](CC=C1[C@@]5(CN2CC1CC1)c34)N(C)C(=O)\C=C\c1ccoc1 |r,t:14,THB:19:18:15:2.3.23| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128527 BindingDB Entry DOI: 10.7270/Q2HT2TDM |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50596296
(CHEMBL5181937)Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5([H])[C@@H](CCC1[C@@]5(CN2CC1CC1)c34)N(C)C(=O)\C=C\c1ccoc1 |r,THB:19:18:15:2.3.23| | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128527 BindingDB Entry DOI: 10.7270/Q2HT2TDM |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50596296
(CHEMBL5181937)Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5([H])[C@@H](CCC1[C@@]5(CN2CC1CC1)c34)N(C)C(=O)\C=C\c1ccoc1 |r,THB:19:18:15:2.3.23| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128527 BindingDB Entry DOI: 10.7270/Q2HT2TDM |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50596295
(CHEMBL5209224)Show SMILES [H][C@@]12Cc3ccc(OC)c4O[C@@]5([H])[C@@H](CC=C1[C@@]5(CN2CC1CC1)c34)N(C)C(=O)\C=C\c1ccoc1 |r,t:15,THB:20:19:16:2.3.24| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128527 BindingDB Entry DOI: 10.7270/Q2HT2TDM |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50596294
(CHEMBL5199575)Show SMILES [H][C@@]12Cc3ccc(OC)c4O[C@@]5([H])[C@@H](CCC1[C@@]5(CN2CC1CC1)c34)N(C)C(=O)\C=C\c1ccoc1 |r,THB:20:19:16:2.3.24| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128527 BindingDB Entry DOI: 10.7270/Q2HT2TDM |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50596296
(CHEMBL5181937)Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5([H])[C@@H](CCC1[C@@]5(CN2CC1CC1)c34)N(C)C(=O)\C=C\c1ccoc1 |r,THB:19:18:15:2.3.23| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128527 BindingDB Entry DOI: 10.7270/Q2HT2TDM |
More data for this Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50596297
(CHEMBL5186673)Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5([H])[C@@H](CC=C1[C@@]5(CN2CC1CC1)c34)N(C)C(=O)\C=C\c1ccoc1 |r,t:14,THB:19:18:15:2.3.23| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128527 BindingDB Entry DOI: 10.7270/Q2HT2TDM |
More data for this Ligand-Target Pair | |