BindingDB logo
myBDB logout

BDBM50383157 CHEMBL2031878

SMILES: Fc1cc(ccc1-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1)C(=O)N1CCCC1

InChI Key: InChIKey=MEWSMJAOOPXCMF-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 = 50383157   
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))
BDBM50383157
PNG
(CHEMBL2031878)
Show SMILES Fc1cc(ccc1-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1)C(=O)N1CCCC1
Show InChI InChI=1S/C26H30FN3O2/c27-24-18-21(25(31)29-12-3-4-13-29)6-7-22(24)19-5-8-23-20(17-19)9-14-30(26(23)32)16-15-28-10-1-2-11-28/h5-8,17-18H,1-4,9-16H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting


J Med Chem 55: 2452-68 (2012)


Article DOI: 10.1021/jm300011d
BindingDB Entry DOI: 10.7270/Q2736RZR
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50383157
PNG
(CHEMBL2031878)
Show SMILES Fc1cc(ccc1-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1)C(=O)N1CCCC1
Show InChI InChI=1S/C26H30FN3O2/c27-24-18-21(25(31)29-12-3-4-13-29)6-7-22(24)19-5-8-23-20(17-19)9-14-30(26(23)32)16-15-28-10-1-2-11-28/h5-8,17-18H,1-4,9-16H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.13E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by IonWorks assay


J Med Chem 55: 2452-68 (2012)


Article DOI: 10.1021/jm300011d
BindingDB Entry DOI: 10.7270/Q2736RZR
More data for this
Ligand-Target Pair