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SMILES: C[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1cccc(c1)[N+]([O-])=O

InChI Key: InChIKey=PHVLNRZLQDGIAJ-DVMWJLJYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 89164   
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))		BDBM89164
PNG
((3R,3aS,7R,7aS)-2-benzyl-7-methyl-3-(3-nitrophenyl...)
Show SMILES C[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1cccc(c1)[N+]([O-])=O |c:3|
Show InChI InChI=1S/C22H22N2O3/c1-15-7-5-12-19-20(15)22(25)23(14-16-8-3-2-4-9-16)21(19)17-10-6-11-18(13-17)24(26)27/h2-6,8-13,15,19-21H,7,14H2,1H3/t15-,19+,20+,21+/m1/s1
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PC cid
PC sid
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n/an/an/an/a 2.27E+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