Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'High affinity choline transporter 1' and Ligand = 'BDBM66443'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
High affinity choline transporter 1 (Homo sapiens (Human))	BDBM66443 (1-(4-Chloro-benzoyl)-1-ethyl-2-oxo-1,7b-dihydro-cy...) Show SMILES CCC1(C2c3ccccc3OC(=O)C12C(=O)Nc1ccccc1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H20ClNO4/c1-2-25(22(29)16-12-14-17(27)15-13-16)21-19-10-6-7-11-20(19)32-24(31)26(21,25)23(30)28-18-8-4-3-5-9-18/h3-15,21H,2H2,1H3,(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	8.44E+3	n/a	n/a	n/a	n/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
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