Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent noradrenaline transporter' and Ligand = 'BDBM172721'   

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
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM172721 (US9096515, 21a | US9296681, 21a) Show SMILES CCOC(=O)NCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H30Cl2N2O2/c1-4-26-19(25)24-11-10-23-18(12-14(2)3)20(8-5-9-20)15-6-7-16(21)17(22)13-15/h6-7,13-14,18,23H,4-5,8-12H2,1-3H3,(H,24,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
REVIVA PHARMACEUTICALS, INC. US Patent					Assay Description The monoamine transporters inhibitory activities of selected compounds cycloalkylmethylamine derivatives comprising Formula (I) are reported herein. ...				US Patent US9096515 (2015) BindingDB Entry DOI: 10.7270/Q2Z60MTK
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM172721 (US9096515, 21a | US9296681, 21a) Show SMILES CCOC(=O)NCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H30Cl2N2O2/c1-4-26-19(25)24-11-10-23-18(12-14(2)3)20(8-5-9-20)15-6-7-16(21)17(22)13-15/h6-7,13-14,18,23H,4-5,8-12H2,1-3H3,(H,24,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
REVIVA PHARMACEUTICALS, INC. US Patent					Assay Description The compounds were evaluated using well established radioligand binding assays protocols (Galli, A. et al., J. Exp. Biol. 1995, 198, 2197-2212; Giros...				US Patent US9296681 (2016) BindingDB Entry DOI: 10.7270/Q22B8WW4
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM172721 (US9096515, 21a | US9296681, 21a) Show SMILES CCOC(=O)NCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H30Cl2N2O2/c1-4-26-19(25)24-11-10-23-18(12-14(2)3)20(8-5-9-20)15-6-7-16(21)17(22)13-15/h6-7,13-14,18,23H,4-5,8-12H2,1-3H3,(H,24,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
REVIVA PHARMACEUTICALS, INC. US Patent					Assay Description The monoamine transporters inhibitory activities of selected compounds cycloalkylmethylamine derivatives comprising Formula (I) are reported herein. ...				US Patent US9096515 (2015) BindingDB Entry DOI: 10.7270/Q2Z60MTK
					More data for this Ligand-Target Pair