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BDBM85830 VUF5202

SMILES: Clc1ccc(CNCCCCCc2cnc[nH]2)cc1

InChI Key: InChIKey=BJZMQYYHQDWJRH-UHFFFAOYSA-N

Data: 1 KI  1 IC50  1 Kd

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 3 hits for monomerid = 85830   
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 receptor (H3)


(Homo sapiens (Human))
BDBM85830
PNG
(VUF5202)
Show SMILES Clc1ccc(CNCCCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C15H20ClN3/c16-14-7-5-13(6-8-14)10-17-9-3-1-2-4-15-11-18-12-19-15/h5-8,11-12,17H,1-4,9-10H2,(H,18,19)
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
2.34n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM85830
PNG
(VUF5202)
Show SMILES Clc1ccc(CNCCCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C15H20ClN3/c16-14-7-5-13(6-8-14)10-17-9-3-1-2-4-15-11-18-12-19-15/h5-8,11-12,17H,1-4,9-10H2,(H,18,19)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/an/a 1.26n/an/an/an/an/a



De Novo Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex


J Med Chem 44: 1666-74 (2001)


BindingDB Entry DOI: 10.7270/Q2WH2QP8
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM85830
PNG
(VUF5202)
Show SMILES Clc1ccc(CNCCCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C15H20ClN3/c16-14-7-5-13(6-8-14)10-17-9-3-1-2-4-15-11-18-12-19-15/h5-8,11-12,17H,1-4,9-10H2,(H,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Activity against human H3 receptor as measured by CRE-mediated beta galactosidase reporter gene assay in forskolin-stimulated SK-N-MC cells


J Med Chem 49: 2549-57 (2006)


Article DOI: 10.1021/jm0504353
BindingDB Entry DOI: 10.7270/Q2S46T8X
More data for this
Ligand-Target Pair