BindingDB logo
myBDB logout

null

SMILES: CN(C)CC\N=c1/c(O)c(O)c1=NC\C=C/COc1csc(CN2CCCCC2)c1

InChI Key: InChIKey=XYRKQYMFQUKYDV-KDKAKKDESA-N

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 = 50213959   
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))		BDBM50213959
PNG
(CHEMBL50294)
Show SMILES CN(C)CC\N=c1/c(O)c(O)c1=NC\C=C/COc1csc(CN2CCCCC2)c1
Show InChI InChI=1S/C22H32N4O3S/c1-25(2)12-9-24-20-19(21(27)22(20)28)23-8-4-7-13-29-17-14-18(30-16-17)15-26-10-5-3-6-11-26/h4,7,14,16,27-28H,3,5-6,8-13,15H2,1-2H3/b7-4-,23-19-,24-20-
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
n/an/a 0.350n/an/an/an/an/an/a


TBA

Assay Description
Histamine H2 receptor antagonistic activity

Citation and Details

BindingDB Entry DOI: 10.7270/Q2XP773S
More data for this
Ligand-Target Pair