Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50016642 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 |
|---|
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50592810
(CHEMBL5174113)Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@@]3(C)c1cccc(NC(=O)c3ccc(OC)cc3)c1)[C@@](C)(O2)c1cccc(NC(=O)c2ccc(OC)cc2)c1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.20 | 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.2022.128530
BindingDB Entry DOI: 10.7270/Q28919WZ |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50592811
(CHEMBL5170308)Show SMILES [H][C@@]12CO[C@@]3([H])N1[C@]([H])(O[C@@]3(C)c1cccc(NC(=O)c3ccc(OC)cc3)c1)[C@@](C)(O2)c1cccc(NC(=O)c2ccc(OC)cc2)c1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.20 | 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.2022.128530
BindingDB Entry DOI: 10.7270/Q28919WZ |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50596324
(CHEMBL5179969)Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc2cccc(N(C)C(=O)c3ccccc3)c2c1)-c1cccc(c1)C(=O)N(C)C | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128530
BindingDB Entry DOI: 10.7270/Q28919WZ |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50596325
(CHEMBL5209514)Show SMILES COc1ccccc1C(=O)N(C)c1cccc2ccc(NS(=O)(=O)c3cc(ccc3OC)-c3cccc(c3)C(=O)N(C)C)cc12 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128530
BindingDB Entry DOI: 10.7270/Q28919WZ |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50596326
(CHEMBL5176007)Show SMILES COc1cccc(c1)C(=O)N(C)c1cccc2ccc(NS(=O)(=O)c3cc(ccc3OC)-c3cccc(c3)C(=O)N(C)C)cc12 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 232 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128530
BindingDB Entry DOI: 10.7270/Q28919WZ |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50596327
(CHEMBL5208933)Show SMILES COc1ccc(cc1)C(=O)N(C)c1cccc2ccc(NS(=O)(=O)c3cc(ccc3OC)-c3cccc(c3)C(=O)N(C)C)cc12 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 654 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128530
BindingDB Entry DOI: 10.7270/Q28919WZ |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50596328
(CHEMBL5175432)Show SMILES COc1cccc(c1)C(=O)Nc1cccc2ccc(NS(=O)(=O)c3cc(ccc3OC)-c3cccc(c3)C(=O)N(C)C)cc12 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 473 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128530
BindingDB Entry DOI: 10.7270/Q28919WZ |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50596329
(CHEMBL5174799)Show SMILES COc1cccc(c1)C(=O)Nc1c(C)ccc2ccc(NS(=O)(=O)c3cc(ccc3OC)-c3cccc(c3)C(=O)N(C)C)cc12 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 148 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128530
BindingDB Entry DOI: 10.7270/Q28919WZ |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50596330
(CHEMBL5171902)Show SMILES COc1cccc(c1)C(=O)N(C)c1c(C)ccc2ccc(NS(=O)(=O)c3cc(ccc3OC)-c3cccc(c3)C(=O)N(C)C)cc12 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 260 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128530
BindingDB Entry DOI: 10.7270/Q28919WZ |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50596321
(CHEMBL5202268)Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc2ccc(NC(=O)c3ccccc3)cc2c1)-c1cccc(c1)C(=O)N(C)C | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128530
BindingDB Entry DOI: 10.7270/Q28919WZ |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50596322
(CHEMBL5171737)Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc2ccc(cc2c1)N(C)C(=O)c1ccccc1)-c1cccc(c1)C(=O)N(C)C | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128530
BindingDB Entry DOI: 10.7270/Q28919WZ |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50596323
(CHEMBL5170597)Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc2cccc(NC(=O)c3ccccc3)c2c1)-c1cccc(c1)C(=O)N(C)C | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 873 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128530
BindingDB Entry DOI: 10.7270/Q28919WZ |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50596324
(CHEMBL5179969)Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc2cccc(N(C)C(=O)c3ccccc3)c2c1)-c1cccc(c1)C(=O)N(C)C | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.95E+3 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128530
BindingDB Entry DOI: 10.7270/Q28919WZ |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50596325
(CHEMBL5209514)Show SMILES COc1ccccc1C(=O)N(C)c1cccc2ccc(NS(=O)(=O)c3cc(ccc3OC)-c3cccc(c3)C(=O)N(C)C)cc12 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128530
BindingDB Entry DOI: 10.7270/Q28919WZ |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50596326
(CHEMBL5176007)Show SMILES COc1cccc(c1)C(=O)N(C)c1cccc2ccc(NS(=O)(=O)c3cc(ccc3OC)-c3cccc(c3)C(=O)N(C)C)cc12 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 23 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128530
BindingDB Entry DOI: 10.7270/Q28919WZ |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50596327
(CHEMBL5208933)Show SMILES COc1ccc(cc1)C(=O)N(C)c1cccc2ccc(NS(=O)(=O)c3cc(ccc3OC)-c3cccc(c3)C(=O)N(C)C)cc12 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 51 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128530
BindingDB Entry DOI: 10.7270/Q28919WZ |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50596328
(CHEMBL5175432)Show SMILES COc1cccc(c1)C(=O)Nc1cccc2ccc(NS(=O)(=O)c3cc(ccc3OC)-c3cccc(c3)C(=O)N(C)C)cc12 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 24 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128530
BindingDB Entry DOI: 10.7270/Q28919WZ |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50596329
(CHEMBL5174799)Show SMILES COc1cccc(c1)C(=O)Nc1c(C)ccc2ccc(NS(=O)(=O)c3cc(ccc3OC)-c3cccc(c3)C(=O)N(C)C)cc12 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 9.20 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128530
BindingDB Entry DOI: 10.7270/Q28919WZ |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50596330
(CHEMBL5171902)Show SMILES COc1cccc(c1)C(=O)N(C)c1c(C)ccc2ccc(NS(=O)(=O)c3cc(ccc3OC)-c3cccc(c3)C(=O)N(C)C)cc12 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 31 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128530
BindingDB Entry DOI: 10.7270/Q28919WZ |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM386067
(US10287305, Example 5 | US10508083, Example 191 | ...)Show SMILES COC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1ccccc1 |r,wU:20.24,17.17,14.15,8.8,(-1.33,-4.23,;,-3.47,;1.33,-4.23,;1.33,-5.78,;2.67,-3.47,;4,-4.24,;5.33,-3.47,;5.33,-1.93,;4,-1.16,;4,.38,;5.33,1.15,;6.67,.38,;4.56,2.49,;6.1,2.49,;2.67,-1.93,;1.33,-1.16,;1.33,.38,;,1.15,;-1.33,.38,;-2.67,1.15,;-2.67,2.69,;-1.33,3.46,;,2.69,;-4,3.46,;-4,5,;-5.33,5.78,;-6.67,5,;-6.67,3.46,;-5.33,2.69,)| Show InChI InChI=1S/C21H32N2O5S/c1-27-21(24)23-14-6-9-19(22-29(2,25)26)20(23)15-28-18-12-10-17(11-13-18)16-7-4-3-5-8-16/h3-5,7-8,17-20,22H,6,9-15H2,1-2H3/t17-,18+,19-,20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 5.5 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128530
BindingDB Entry DOI: 10.7270/Q28919WZ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50596323
(CHEMBL5170597)Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc2cccc(NC(=O)c3ccccc3)c2c1)-c1cccc(c1)C(=O)N(C)C | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128530
BindingDB Entry DOI: 10.7270/Q28919WZ |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50596321
(CHEMBL5202268)Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc2ccc(NC(=O)c3ccccc3)cc2c1)-c1cccc(c1)C(=O)N(C)C | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128530
BindingDB Entry DOI: 10.7270/Q28919WZ |
More data for this
Ligand-Target Pair | |
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human)) | BDBM50596322
(CHEMBL5171737)Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc2ccc(cc2c1)N(C)C(=O)c1ccccc1)-c1cccc(c1)C(=O)N(C)C | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128530
BindingDB Entry DOI: 10.7270/Q28919WZ |
More data for this
Ligand-Target Pair | |
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