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SMILES: CCC(C)(C)n1nnnc1C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)c1cccnc1

InChI Key: InChIKey=SFLJKYWGKSURHI-UHFFFAOYSA-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 = 77122   
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
High affinity choline transporter 1


(Homo sapiens (Human))		BDBM77122
PNG
(1-[(1-tert-amyltetrazol-5-yl)-(3-pyridyl)methyl]-4...)
Show SMILES CCC(C)(C)n1nnnc1C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)c1cccnc1
Show InChI InChI=1S/C23H28F3N7/c1-4-22(2,3)33-21(28-29-30-33)20(17-7-6-10-27-16-17)32-13-11-31(12-14-32)19-9-5-8-18(15-19)23(24,25)26/h5-10,15-16,20H,4,11-14H2,1-3H3
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PC cid
PC sid
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n/an/an/an/a 1.60E+4n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...

PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair