Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transporter' and Ligand = 'BDBM50597618'   

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)	BDBM50597618 (CHEMBL5176356) Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCc3ccc4c(c3)C(C)(C)OC4(CCCNC)c3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |(-13.21,5.78,;-13.21,7.32,;-11.88,8.09,;-11.88,9.63,;-13.21,10.4,;-10.54,7.32,;-10.54,5.77,;-9.2,5,;-7.87,5.77,;-6.52,5,;-6.52,3.46,;-7.86,2.68,;-7.85,1.14,;-6.52,.38,;-5.19,1.15,;-5.19,2.69,;-3.86,3.46,;-2.52,2.69,;-4.62,4.79,;-3.08,4.79,;-6.52,-1.16,;-8.07,-1.16,;-7.3,-2.49,;-5.19,-1.93,;-5.19,-3.47,;-3.86,-4.24,;-3.86,-5.78,;-2.52,-6.55,;-2.52,-8.09,;-1.19,-8.86,;-1.19,-10.4,;.14,-8.09,;1.48,-8.86,;2.81,-8.09,;2.81,-6.55,;4.14,-5.78,;5.48,-6.55,;5.48,-8.09,;4.15,-8.86,;6.93,-8.54,;6.53,-10.03,;8.02,-9.63,;7.84,-7.3,;6.97,-6.09,;8.06,-4.99,;9.55,-5.39,;10.64,-4.3,;12.12,-4.7,;13.21,-3.61,;6.57,-4.6,;5.08,-4.2,;4.69,-2.72,;5.77,-1.63,;7.26,-2.02,;7.66,-3.5,;-5.19,5.78,;-3.85,5.01,;-2.52,5.79,;-2.53,7.32,;-3.86,8.09,;-5.19,7.32,;-6.53,8.09,;-7.87,7.32,;-9.2,8.09,;-1.19,8.09,;-1.19,9.63,;-2.53,10.4,;.14,7.32,;.14,5.78,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00072a BindingDB Entry DOI: 10.7270/Q2N301ZH
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