Found 3 hits Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM50586476' 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 |
|---|
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50586476
(CHEMBL5081713)Show SMILES CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCOCCOCCOCCNC(=O)C3CCN(Cc4ccc(OCCCN5CCCCC5)cc4)CC3)c3ccc(cc3oc2c1)=[N+](C)C |(50.94,-7.72,;49.61,-6.94,;49.62,-5.4,;48.28,-7.7,;46.93,-6.92,;45.6,-7.69,;45.59,-9.23,;44.26,-9.99,;42.94,-9.22,;41.6,-9.98,;40.27,-9.21,;40.28,-7.67,;41.61,-6.9,;42.94,-7.67,;44.27,-6.9,;45.75,-6.49,;44.27,-5.36,;38.95,-6.89,;38.95,-5.35,;37.61,-7.66,;36.28,-6.88,;34.94,-7.65,;33.61,-6.87,;32.28,-7.64,;30.95,-6.86,;29.61,-7.63,;28.28,-6.85,;26.94,-7.62,;25.61,-6.84,;24.27,-7.61,;22.94,-6.83,;21.61,-7.6,;20.28,-6.82,;20.28,-5.28,;18.94,-7.59,;18.93,-9.13,;17.6,-9.89,;16.28,-9.11,;14.94,-9.88,;13.61,-9.11,;12.28,-9.88,;10.94,-9.11,;10.95,-7.57,;9.62,-6.8,;8.28,-7.57,;6.95,-6.79,;5.61,-7.56,;4.28,-6.79,;2.95,-7.55,;1.63,-6.79,;1.63,-5.25,;2.95,-4.47,;4.28,-5.25,;12.28,-6.8,;13.6,-7.57,;16.26,-7.58,;17.6,-6.81,;44.26,-11.53,;42.94,-12.29,;42.93,-13.82,;44.25,-14.58,;45.57,-13.83,;45.58,-12.31,;46.92,-11.55,;46.93,-10,;48.27,-9.25,;44.25,-16.12,;42.92,-16.9,;45.58,-16.9,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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
| Assay Description
Binding affinity in Nluc-hH3R assessed in HEK293 cells by NanoBRET binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01089
BindingDB Entry DOI: 10.7270/Q2TB1BTS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50586476
(CHEMBL5081713)Show SMILES CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCOCCOCCOCCNC(=O)C3CCN(Cc4ccc(OCCCN5CCCCC5)cc4)CC3)c3ccc(cc3oc2c1)=[N+](C)C |(50.94,-7.72,;49.61,-6.94,;49.62,-5.4,;48.28,-7.7,;46.93,-6.92,;45.6,-7.69,;45.59,-9.23,;44.26,-9.99,;42.94,-9.22,;41.6,-9.98,;40.27,-9.21,;40.28,-7.67,;41.61,-6.9,;42.94,-7.67,;44.27,-6.9,;45.75,-6.49,;44.27,-5.36,;38.95,-6.89,;38.95,-5.35,;37.61,-7.66,;36.28,-6.88,;34.94,-7.65,;33.61,-6.87,;32.28,-7.64,;30.95,-6.86,;29.61,-7.63,;28.28,-6.85,;26.94,-7.62,;25.61,-6.84,;24.27,-7.61,;22.94,-6.83,;21.61,-7.6,;20.28,-6.82,;20.28,-5.28,;18.94,-7.59,;18.93,-9.13,;17.6,-9.89,;16.28,-9.11,;14.94,-9.88,;13.61,-9.11,;12.28,-9.88,;10.94,-9.11,;10.95,-7.57,;9.62,-6.8,;8.28,-7.57,;6.95,-6.79,;5.61,-7.56,;4.28,-6.79,;2.95,-7.55,;1.63,-6.79,;1.63,-5.25,;2.95,-4.47,;4.28,-5.25,;12.28,-6.8,;13.6,-7.57,;16.26,-7.58,;17.6,-6.81,;44.26,-11.53,;42.94,-12.29,;42.93,-13.82,;44.25,-14.58,;45.57,-13.83,;45.58,-12.31,;46.92,-11.55,;46.93,-10,;48.27,-9.25,;44.25,-16.12,;42.92,-16.9,;45.58,-16.9,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.302 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]UR-P1294 from human H3R receptor expressed in HEK293 cells by radioligand competition binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01089
BindingDB Entry DOI: 10.7270/Q2TB1BTS |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50586476
(CHEMBL5081713)Show SMILES CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCOCCOCCOCCNC(=O)C3CCN(Cc4ccc(OCCCN5CCCCC5)cc4)CC3)c3ccc(cc3oc2c1)=[N+](C)C |(50.94,-7.72,;49.61,-6.94,;49.62,-5.4,;48.28,-7.7,;46.93,-6.92,;45.6,-7.69,;45.59,-9.23,;44.26,-9.99,;42.94,-9.22,;41.6,-9.98,;40.27,-9.21,;40.28,-7.67,;41.61,-6.9,;42.94,-7.67,;44.27,-6.9,;45.75,-6.49,;44.27,-5.36,;38.95,-6.89,;38.95,-5.35,;37.61,-7.66,;36.28,-6.88,;34.94,-7.65,;33.61,-6.87,;32.28,-7.64,;30.95,-6.86,;29.61,-7.63,;28.28,-6.85,;26.94,-7.62,;25.61,-6.84,;24.27,-7.61,;22.94,-6.83,;21.61,-7.6,;20.28,-6.82,;20.28,-5.28,;18.94,-7.59,;18.93,-9.13,;17.6,-9.89,;16.28,-9.11,;14.94,-9.88,;13.61,-9.11,;12.28,-9.88,;10.94,-9.11,;10.95,-7.57,;9.62,-6.8,;8.28,-7.57,;6.95,-6.79,;5.61,-7.56,;4.28,-6.79,;2.95,-7.55,;1.63,-6.79,;1.63,-5.25,;2.95,-4.47,;4.28,-5.25,;12.28,-6.8,;13.6,-7.57,;16.26,-7.58,;17.6,-6.81,;44.26,-11.53,;42.94,-12.29,;42.93,-13.82,;44.25,-14.58,;45.57,-13.83,;45.58,-12.31,;46.92,-11.55,;46.93,-10,;48.27,-9.25,;44.25,-16.12,;42.92,-16.9,;45.58,-16.9,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.676 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human H3R expressed in HEK293 cells by flow cytometric analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01089
BindingDB Entry DOI: 10.7270/Q2TB1BTS |
More data for this
Ligand-Target Pair | |
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