Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Solute carrier family 22 member 1' and Ligand = 'BDBM50505669'   

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
Solute carrier family 22 member 1 (Homo sapiens (Human))	BDBM50505669 (CHEMBL3527426) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])NCC[C@@]14[C@@]5(O)CCC2=O)ccc3OC |r| Show InChI InChI=1S/C17H19NO4/c1-21-11-3-2-9-8-12-17(20)5-4-10(19)15-16(17,6-7-18-12)13(9)14(11)22-15/h2-3,12,15,18,20H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University Medicine Greifswald Curated by ChEMBL					Assay Description Inhibition of human OCT1 expressed in HEK293 cells assessed as reduction in ASP+ substrate uptake by microplate reader based analysis				J Med Chem 62: 9890-9905 (2019) Article DOI: 10.1021/acs.jmedchem.9b01301 BindingDB Entry DOI: 10.7270/Q2QV3QSW
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