BindingDB logo
myBDB logout

BDBM50517508 CHEMBL4594107

SMILES: CC(C)N1CCCN(CC(=O)Nc2ccc(OC3CCN(CC3)C3CCC3)cc2C(F)(F)F)CC1

InChI Key: InChIKey=CDBBTVHHUSLXBU-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50517508   
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 H3 receptor


(Homo sapiens (Human))
BDBM50517508
PNG
(CHEMBL4594107)
Show SMILES CC(C)N1CCCN(CC(=O)Nc2ccc(OC3CCN(CC3)C3CCC3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H39F3N4O2/c1-19(2)32-12-4-11-31(15-16-32)18-25(34)30-24-8-7-22(17-23(24)26(27,28)29)35-21-9-13-33(14-10-21)20-5-3-6-20/h7-8,17,19-21H,3-6,9-16,18H2,1-2H3,(H,30,34)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.960n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3]-RAMH from recombinant human histamine H3 receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting


J Med Chem 62: 1203-1217 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01280
More data for this
Ligand-Target Pair