Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'High affinity choline transporter 1' and Ligand = 'BDBM80575'   

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))	BDBM80575 ((4R,5R,6R)-1-ethyl-2-[2-(1H-indol-3-yl)ethylamino]...) Show SMILES CCN1[C@H](C)[C@H]([C@@H](N=C1NCCc1c[nH]c2ccccc12)c1ccccc1)C(=O)OC |c:7| Show InChI InChI=1S/C25H30N4O2/c1-4-29-17(2)22(24(30)31-3)23(18-10-6-5-7-11-18)28-25(29)26-15-14-19-16-27-21-13-9-8-12-20(19)21/h5-13,16-17,22-23,27H,4,14-15H2,1-3H3,(H,26,28)/t17-,22-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.30E+4	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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