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SMILES: COCn1ncc(OC)c(-c2ccc(OCCCN3CCC[C@H]3C)cc2)c1=O

InChI Key: InChIKey=SOFLHSZGYGTBLR-MRXNPFEDSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50385244   
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))
BDBM50385244
PNG
(CHEMBL2037610)
Show SMILES COCn1ncc(OC)c(-c2ccc(OCCCN3CCC[C@H]3C)cc2)c1=O |r|
Show InChI InChI=1S/C21H29N3O4/c1-16-6-4-11-23(16)12-5-13-28-18-9-7-17(8-10-18)20-19(27-3)14-22-24(15-26-2)21(20)25/h7-10,14,16H,4-6,11-13,15H2,1-3H3/t16-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
10n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in CHO cells after 4 hrs by scintillation proximity assay


Bioorg Med Chem 20: 3880-6 (2012)


Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50385244
PNG
(CHEMBL2037610)
Show SMILES COCn1ncc(OC)c(-c2ccc(OCCCN3CCC[C@H]3C)cc2)c1=O |r|
Show InChI InChI=1S/C21H29N3O4/c1-16-6-4-11-23(16)12-5-13-28-18-9-7-17(8-10-18)20-19(27-3)14-22-24(15-26-2)21(20)25/h7-10,14,16H,4-6,11-13,15H2,1-3H3/t16-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
19n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from rat histamine H3 receptor expressed in CHO-A3 cells after 4 hrs by scintillation proximity assay


Bioorg Med Chem 20: 3880-6 (2012)


Article DOI: 10.1016/j.bmc.2012.04.028
BindingDB Entry DOI: 10.7270/Q27D2W64
More data for this
Ligand-Target Pair