Found 9 hits Enz. Inhib. hit(s) with all data for assayid = 19 entry = 50046053 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 receptor type 2
(Rattus norvegicus (Rat)) | BDBM50097380
(CHEMBL3586432)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccccc1-n1nccn1 |r| Show InChI InChI=1S/C21H23N7O/c1-14-9-15(2)25-21(24-14)27-12-16-10-26(11-17(16)13-27)20(29)18-5-3-4-6-19(18)28-22-7-8-23-28/h3-9,16-17H,10-13H2,1-2H3/t16-,17+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to rat OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM50097388
(CHEMBL3586426)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccccc1-c1cccs1 |r| Show InChI InChI=1S/C23H24N4OS/c1-15-10-16(2)25-23(24-15)27-13-17-11-26(12-18(17)14-27)22(28)20-7-4-3-6-19(20)21-8-5-9-29-21/h3-10,17-18H,11-14H2,1-2H3/t17-,18+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to rat OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM50092812
(CHEMBL3586433)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1cccc(F)c1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)17-4-3-5-18(22)19(17)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to rat OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM50092814
(CHEMBL3586436)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(F)cccc1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to rat OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM50097360
(CHEMBL3586440)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(C)cccc1-n1nccn1 |r| Show InChI InChI=1S/C22H25N7O/c1-14-5-4-6-19(29-23-7-8-24-29)20(14)21(30)27-10-17-12-28(13-18(17)11-27)22-25-15(2)9-16(3)26-22/h4-9,17-18H,10-13H2,1-3H3/t17-,18+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to rat OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM50092813
(CHEMBL3586434)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccc(F)cc1-n1nccn1 |r| Show InChI InChI=1S/C21H22FN7O/c1-13-7-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)18-4-3-17(22)8-19(18)29-23-5-6-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to rat OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM50097392
(CHEMBL3586441)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1cc(OC)ccc1-n1nccn1 |r| Show InChI InChI=1S/C22H25N7O2/c1-14-8-15(2)26-22(25-14)28-12-16-10-27(11-17(16)13-28)21(30)19-9-18(31-3)4-5-20(19)29-23-6-7-24-29/h4-9,16-17H,10-13H2,1-3H3/t16-,17+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to rat OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM50097379
(CHEMBL3586437)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1ccccc1-c1ncn[nH]1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to rat OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this
Ligand-Target Pair | |
Orexin receptor type 2
(Rattus norvegicus (Rat)) | BDBM50092811
(CHEMBL3586442)Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1cc(Cl)ccc1-n1nccn1 |r| Show InChI InChI=1S/C21H22ClN7O/c1-13-7-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)18-8-17(22)3-4-19(18)29-23-5-6-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to rat OX2 receptor |
J Med Chem 58: 5620-36 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG |
More data for this
Ligand-Target Pair | |
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