BindingDB logo
myBDB logout

BDBM50404959 CHEMBL33108

SMILES: [#6]-[#7]-[#6](-[#6-]-[#7+](-[#8-])=O)=[#7+]-c1ccc(cc1)-c1csc(\[#7]=[#6](\[#7])-[#7])n1

InChI Key: InChIKey=CVLNTFPLUHRYAX-UHFFFAOYSA-O

Data: 1 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 1 hit for monomerid = 50404959   
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 H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50404959
PNG
(CHEMBL33108)
Show SMILES [#6]-[#7]-[#6](-[#6-]-[#7+](-[#8-])=O)=[#7+]-c1ccc(cc1)-c1csc(\[#7]=[#6](\[#7])-[#7])n1 |w:7.7|
Show InChI InChI=1S/C13H14N7O2S/c1-16-11(6-20(21)22)17-9-4-2-8(3-5-9)10-7-23-13(18-10)19-12(14)15/h2-7H,1H3,(H,16,17)(H4,14,15,18,19)/q-1/p+1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
3.16E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated in vitro for Histamine H2 receptor inhibition using the dimaprit stimulated chronotropic response of the guinea pig atrium


J Med Chem 26: 140-4 (1983)


BindingDB Entry DOI: 10.7270/Q2R212KZ
More data for this
Ligand-Target Pair