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BDBM50177556 5-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)propoxy)phenyl)pyrimidine::CHEMBL204639

SMILES: C(COc1ccc(cc1)-c1cncnc1)CN1CCC(Cc2cnc[nH]2)CC1

InChI Key: InChIKey=YACUUJXRNCVWCE-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 = 50177556   
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
HRH3


(GUINEA PIG)
BDBM50177556
PNG
(5-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(COc1ccc(cc1)-c1cncnc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C22H27N5O/c1(8-27-9-6-18(7-10-27)12-21-15-25-17-26-21)11-28-22-4-2-19(3-5-22)20-13-23-16-24-14-20/h2-5,13-18H,1,6-12H2,(H,25,26)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50177556
PNG
(5-(4-(3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-y...)
Show SMILES C(COc1ccc(cc1)-c1cncnc1)CN1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C22H27N5O/c1(8-27-9-6-18(7-10-27)12-21-15-25-17-26-21)11-28-22-4-2-19(3-5-22)20-13-23-16-24-14-20/h2-5,13-18H,1,6-12H2,(H,25,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by human liver microsome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair