BindingDB logo
myBDB logout

null

SMILES: CC(C)C(=O)N1CCN(CC1)c1ccccc1NC(=O)c1ccc(cc1F)C#N

InChI Key: InChIKey=IKIKGERLRKUTQW-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 89158   
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))		BDBM89158
PNG
(4-cyano-2-fluoranyl-N-[2-[4-(2-methylpropanoyl)pip...)
Show SMILES CC(C)C(=O)N1CCN(CC1)c1ccccc1NC(=O)c1ccc(cc1F)C#N
Show InChI InChI=1S/C22H23FN4O2/c1-15(2)22(29)27-11-9-26(10-12-27)20-6-4-3-5-19(20)25-21(28)17-8-7-16(14-24)13-18(17)23/h3-8,13,15H,9-12H2,1-2H3,(H,25,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.29E+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