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SMILES: C=CCNc1c(NC\C=C/COc2csc(CN3CCCCC3)c2)c(=O)c1=O

InChI Key: InChIKey=SAOIZFLBLQFBQD-DAXSKMNVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50213960   
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))		BDBM50213960
PNG
(CHEMBL49928)
Show SMILES C=CCNc1c(NC\C=C/COc2csc(CN3CCCCC3)c2)c(=O)c1=O
Show InChI InChI=1S/C21H27N3O3S/c1-2-8-22-18-19(21(26)20(18)25)23-9-4-7-12-27-16-13-17(28-15-16)14-24-10-5-3-6-11-24/h2,4,7,13,15,22-23H,1,3,5-6,8-12,14H2/b7-4-
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
n/an/a 0.510n/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