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

InChI Key: InChIKey=JELBJGJGWQYCCI-RBAKBWKASA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50213958   
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))		BDBM50213958
PNG
(CHEMBL298928)
Show SMILES CC(C)\N=c1/c(O)c(O)c1=NC\C=C/COc1csc(CN2CCCCC2)c1
Show InChI InChI=1S/C21H29N3O3S/c1-15(2)23-19-18(20(25)21(19)26)22-8-4-7-11-27-16-12-17(28-14-16)13-24-9-5-3-6-10-24/h4,7,12,14-15,25-26H,3,5-6,8-11,13H2,1-2H3/b7-4-,22-18-,23-19-
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
n/an/a 0.780n/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