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BDBM50170122 CHEMBL3806255

SMILES: CC(C)CN\C(NC[C@H]1CC[C@@H](C1)c1c[nH]cn1)=N\C#N

InChI Key: InChIKey=HMNHLBCXNSUALM-STQMWFEESA-N

Data: 1 KI  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50170122   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H1 receptor


(Homo sapiens (human))
BDBM50170122
PNG
(CHEMBL3806255)
Show SMILES CC(C)CN\C(NC[C@H]1CC[C@@H](C1)c1c[nH]cn1)=N\C#N
Show InChI InChI=1S/C15H24N6/c1-11(2)6-18-15(20-9-16)19-7-12-3-4-13(5-12)14-8-17-10-21-14/h8,10-13H,3-7H2,1-2H3,(H,17,21)(H2,18,19,20)/t12-,13-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
8.75E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in sf9 cell membrane co-expressing RGS4 incubated for 60 mins by liquid sci...


J Med Chem 59: 3452-70 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00120
BindingDB Entry DOI: 10.7270/Q23T9K42
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50170122
PNG
(CHEMBL3806255)
Show SMILES CC(C)CN\C(NC[C@H]1CC[C@@H](C1)c1c[nH]cn1)=N\C#N
Show InChI InChI=1S/C15H24N6/c1-11(2)6-18-15(20-9-16)19-7-12-3-4-13(5-12)14-8-17-10-21-14/h8,10-13H,3-7H2,1-2H3,(H,17,21)(H2,18,19,20)/t12-,13-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 578n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in sf9 cell membrane co-expressing mammalian Galphai2 and Gbeta1gamma2 incubated for 90 min...


J Med Chem 59: 3452-70 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00120
BindingDB Entry DOI: 10.7270/Q23T9K42
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50170122
PNG
(CHEMBL3806255)
Show SMILES CC(C)CN\C(NC[C@H]1CC[C@@H](C1)c1c[nH]cn1)=N\C#N
Show InChI InChI=1S/C15H24N6/c1-11(2)6-18-15(20-9-16)19-7-12-3-4-13(5-12)14-8-17-10-21-14/h8,10-13H,3-7H2,1-2H3,(H,17,21)(H2,18,19,20)/t12-,13-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 15n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H4 receptor expressed in sf9 cell membrane co-expressing mammalian Galphai2 and Gbeta1gamma2 incubated for 90 min...


J Med Chem 59: 3452-70 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00120
BindingDB Entry DOI: 10.7270/Q23T9K42
More data for this
Ligand-Target Pair