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BDBM50384934 CHEMBL2036646

SMILES: C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(C)=O

InChI Key: InChIKey=MQROJBFPDOVWEY-GOSISDBHSA-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 = 50384934   
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))
BDBM50384934
PNG
(CHEMBL2036646)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(C)=O |r|
Show InChI InChI=1S/C22H33N3O3/c1-18-5-3-10-24(18)11-4-16-28-21-8-6-20(7-9-21)22(27)17-23-12-14-25(15-13-23)19(2)26/h6-9,18H,3-5,10-17H2,1-2H3/t18-/m1/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.80n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 2807-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50384934
PNG
(CHEMBL2036646)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(C)=O |r|
Show InChI InChI=1S/C22H33N3O3/c1-18-5-3-10-24(18)11-4-16-28-21-8-6-20(7-9-21)22(27)17-23-12-14-25(15-13-23)19(2)26/h6-9,18H,3-5,10-17H2,1-2H3/t18-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
30n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 2807-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.081
BindingDB Entry DOI: 10.7270/Q26M37VX
More data for this
Ligand-Target Pair