Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transporter' and Ligand = 'BDBM50444862'   

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
Transporter (Rattus norvegicus (rat))	BDBM50444862 (CHEMBL3099493) Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc(O)cc1)C(c1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H25F2NO3/c26-19-7-3-17(4-8-19)25(18-5-9-20(27)10-6-18)24-13-23(30)22(15-31-24)28-14-16-1-11-21(29)12-2-16/h1-12,22-25,28-30H,13-15H2/t22-,23-,24+/m1/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins				Bioorg Med Chem 22: 311-24 (2013) Article DOI: 10.1016/j.bmc.2013.11.017 BindingDB Entry DOI: 10.7270/Q2FB54D1
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