Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transporter' and Ligand = 'BDBM50088338'   

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)	BDBM50088338 (9-Biphenyl-4-ylmethylene-7-aza-tricyclo[4.3.1.0*3,...) Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(cc1)-c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7| Show InChI InChI=1S/C24H25NO2/c1-27-24(26)23-21-14-20-11-12-22(23)25(20)15-19(21)13-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,13,20-23H,11-12,14-15H2,1H3/b19-13+/t20-,21-,22?,23-/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of reuptake of [3H]-NE at Norepinephrine transporter				J Med Chem 43: 2064-71 (2000) BindingDB Entry DOI: 10.7270/Q2GX4C8X
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