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SMILES: NC(NC(=O)CC(c1ncc[nH]1)c1ccc(F)c(F)c1)=NCCCc1cnc[nH]1

InChI Key: InChIKey=DGJMWXIXZSWRLP-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50413183   
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))		BDBM50413183
PNG
(CHEMBL470563)
Show SMILES NC(NC(=O)CC(c1ncc[nH]1)c1ccc(F)c(F)c1)=NCCCc1cnc[nH]1 |w:20.22|
Show InChI InChI=1S/C19H21F2N7O/c20-15-4-3-12(8-16(15)21)14(18-24-6-7-25-18)9-17(29)28-19(22)26-5-1-2-13-10-23-11-27-13/h3-4,6-8,10-11,14H,1-2,5,9H2,(H,23,27)(H,24,25)(H3,22,26,28,29)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 97.7n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at histamine H2 receptor in guinea pig spontaneously beating right atrium assessed as positive chronotropic activity

J Med Chem 51: 7193-204 (2009)


Article DOI: 10.1021/jm800841w
BindingDB Entry DOI: 10.7270/Q2RN38T6
More data for this
Ligand-Target Pair