Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'High affinity choline transporter 1' and Ligand = 'BDBM80578'   

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))	BDBM80578 ((4R,5R,6R)-1-ethyl-6-methyl-4-phenyl-2-[2-(3-pyrid...) Show SMILES CCN1[C@H](C)[C@H]([C@@H](N=C1NCCc1cccnc1)c1ccccc1)C(=O)OC |c:7| Show InChI InChI=1S/C22H28N4O2/c1-4-26-16(2)19(21(27)28-3)20(18-10-6-5-7-11-18)25-22(26)24-14-12-17-9-8-13-23-15-17/h5-11,13,15-16,19-20H,4,12,14H2,1-3H3,(H,24,25)/t16-,19-,20+/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	1.46E+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
					More data for this Ligand-Target Pair