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BDBM50156872 2-methoxy-5-[4-(1-thiophen-2-ylmethyl-1H-indol-3-yl)-piperidin-1-ylmethyl]benzoic acid::CHEMBL376202

SMILES: COc1ccc(CN2CCC(CC2)c2cn(Cc3cccs3)c3ccccc23)cc1C(O)=O

InChI Key: InChIKey=ZERWJGDOIKPLKM-UHFFFAOYSA-N

Data: 2 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 = 50156872   
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 H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50156872
PNG
(2-methoxy-5-[4-(1-thiophen-2-ylmethyl-1H-indol-3-y...)
Show SMILES COc1ccc(CN2CCC(CC2)c2cn(Cc3cccs3)c3ccccc23)cc1C(O)=O
Show InChI InChI=1S/C27H28N2O3S/c1-32-26-9-8-19(15-23(26)27(30)31)16-28-12-10-20(11-13-28)24-18-29(17-21-5-4-14-33-21)25-7-3-2-6-22(24)25/h2-9,14-15,18,20H,10-13,16-17H2,1H3,(H,30,31)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 125n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from histamine H1 receptor in guinea pig cerebellum membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156872
PNG
(2-methoxy-5-[4-(1-thiophen-2-ylmethyl-1H-indol-3-y...)
Show SMILES COc1ccc(CN2CCC(CC2)c2cn(Cc3cccs3)c3ccccc23)cc1C(O)=O
Show InChI InChI=1S/C27H28N2O3S/c1-32-26-9-8-19(15-23(26)27(30)31)16-28-12-10-20(11-13-28)24-18-29(17-21-5-4-14-33-21)25-7-3-2-6-22(24)25/h2-9,14-15,18,20H,10-13,16-17H2,1H3,(H,30,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair