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SMILES: CC(Oc1ccccc1)C(=O)N(CCC1=CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O

InChI Key: InChIKey=KXWCJVZZXBUEEZ-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 = 89172   
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))		BDBM89172
PNG
(MLS001129323 | N-(6-amino-1-benzyl-2,4-diketo-pyri...)
Show SMILES CC(Oc1ccccc1)C(=O)N(CCC1=CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O |t:15|
Show InChI InChI=1S/C28H32N4O4/c1-20(36-23-15-9-4-10-16-23)27(34)31(18-17-21-11-5-2-6-12-21)24-25(29)32(28(35)30-26(24)33)19-22-13-7-3-8-14-22/h3-4,7-11,13-16,20H,2,5-6,12,17-19,29H2,1H3,(H,30,33,35)
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PC cid
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Similars
PCBioAssay
n/an/an/an/a 1.50E+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