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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H2 receptor' and Ligand = 'BDBM50456166'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Histamine H2 receptor


(Homo sapiens (Human))		BDBM50456166
PNG
(CHEMBL4216870)
Show SMILES NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1
Show InChI InChI=1S/C41H46F3N5O2/c42-41(43,44)36-15-12-30(13-16-36)33-14-17-38-34(25-33)26-35(40(50)51)27-39(38)32-10-8-29(9-11-32)31-18-23-48(24-19-31)21-6-3-7-37-28-49(47-46-37)22-5-2-1-4-20-45/h8-17,25-28,31H,1-7,18-24,45H2,(H,50,51)
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PC cid
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Article
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 365n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]-Iodoaminopotentidine from human histamine H2 receptor expressed in HEK293T cell membranes after 90 mins by scintillation count...

J Med Chem 61: 4860-4882 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00168
BindingDB Entry DOI: 10.7270/Q2X069NH
More data for this
Ligand-Target Pair