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BDBM50222971 CHEMBL282016

SMILES: C[C@H]1CC[C@H](C)N1C(=O)c1ccc(cc1)-c1ccc(OCCCN2CC[C@H](O)C2)cc1

InChI Key: InChIKey=IBUFHEOAFDYSLT-SKPFHBQLSA-N

Data: 2 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 2 hits for monomerid = 50222971   
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))
BDBM50222971
PNG
(CHEMBL282016)
Show SMILES C[C@H]1CC[C@H](C)N1C(=O)c1ccc(cc1)-c1ccc(OCCCN2CC[C@H](O)C2)cc1
Show InChI InChI=1S/C26H34N2O3/c1-19-4-5-20(2)28(19)26(30)23-8-6-21(7-9-23)22-10-12-25(13-11-22)31-17-3-15-27-16-14-24(29)18-27/h6-13,19-20,24,29H,3-5,14-18H2,1-2H3/t19-,20-,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
11n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50222971
PNG
(CHEMBL282016)
Show SMILES C[C@H]1CC[C@H](C)N1C(=O)c1ccc(cc1)-c1ccc(OCCCN2CC[C@H](O)C2)cc1
Show InChI InChI=1S/C26H34N2O3/c1-19-4-5-20(2)28(19)26(30)23-8-6-21(7-9-23)22-10-12-25(13-11-22)31-17-3-15-27-16-14-24(29)18-27/h6-13,19-20,24,29H,3-5,14-18H2,1-2H3/t19-,20-,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
58n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat cortical H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair