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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'High affinity choline transporter 1' and Ligand = 'BDBM89153'   
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
High affinity choline transporter 1


(Homo sapiens (Human))		BDBM89153
PNG
(4-[(E,4R)-1-(benzyloxycarbonylamino)-5-keto-2,4-di...)
Show SMILES COC(=O)c1ccc(cc1)C(NC(=O)OCc1ccccc1)C(\C)=C\[C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1
Show InChI InChI=1S/C32H36N2O7/c1-21(17-22(2)30(35)33-19-24-11-16-27(38-3)28(18-24)39-4)29(25-12-14-26(15-13-25)31(36)40-5)34-32(37)41-20-23-9-7-6-8-10-23/h6-18,22,29H,19-20H2,1-5H3,(H,33,35)(H,34,37)/b21-17+/t22-,29?/m1/s1
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n/an/an/an/a 1.23E+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