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SMILES: CCCNC(=O)CO[C@@H]([C@H](CNC)c1ccc2ccccc2c1)c1ccccc1

InChI Key: InChIKey=IIMALBJVIZZYSR-ILBGXUMGSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 388495   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM388495 (US9944618, Compound ID No. 29) Show SMILES CCCNC(=O)CO[C@@H]([C@H](CNC)c1ccc2ccccc2c1)c1ccccc1 |r| Show InChI InChI=1S/C25H30N2O2/c1-3-15-27-24(28)18-29-25(20-10-5-4-6-11-20)23(17-26-2)22-14-13-19-9-7-8-12-21(19)16-22/h4-14,16,23,25-26H,3,15,17-18H2,1-2H3,(H,27,28)/t23-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description SERT: This protocol was designed to measure inhibition of uptake by the human serotonin transporter. The reagents were human SERT (HEK293F) cells, fl...				Bioorg Med Chem Lett 19: 1164-7 (2009) BindingDB Entry DOI: 10.7270/Q26D5WBR
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM388495 (US9944618, Compound ID No. 29) Show SMILES CCCNC(=O)CO[C@@H]([C@H](CNC)c1ccc2ccccc2c1)c1ccccc1 |r| Show InChI InChI=1S/C25H30N2O2/c1-3-15-27-24(28)18-29-25(20-10-5-4-6-11-20)23(17-26-2)22-14-13-19-9-7-8-12-21(19)16-22/h4-14,16,23,25-26H,3,15,17-18H2,1-2H3,(H,27,28)/t23-,25-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...				Bioorg Med Chem Lett 19: 1164-7 (2009) BindingDB Entry DOI: 10.7270/Q26D5WBR
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM388495 (US9944618, Compound ID No. 29) Show SMILES CCCNC(=O)CO[C@@H]([C@H](CNC)c1ccc2ccccc2c1)c1ccccc1 |r| Show InChI InChI=1S/C25H30N2O2/c1-3-15-27-24(28)18-29-25(20-10-5-4-6-11-20)23(17-26-2)22-14-13-19-9-7-8-12-21(19)16-22/h4-14,16,23,25-26H,3,15,17-18H2,1-2H3,(H,27,28)/t23-,25-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	37.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description DAT: This protocol was designed to measure inhibition of uptake by the human dopamine transporter. The reagents were human DAT (HEK293F) cells, GBR 1...				Bioorg Med Chem Lett 19: 1164-7 (2009) BindingDB Entry DOI: 10.7270/Q26D5WBR
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM388495 (US9944618, Compound ID No. 29) Show SMILES CCCNC(=O)CO[C@@H]([C@H](CNC)c1ccc2ccccc2c1)c1ccccc1 |r| Show InChI InChI=1S/C25H30N2O2/c1-3-15-27-24(28)18-29-25(20-10-5-4-6-11-20)23(17-26-2)22-14-13-19-9-7-8-12-21(19)16-22/h4-14,16,23,25-26H,3,15,17-18H2,1-2H3,(H,27,28)/t23-,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description Cytochrome P450 3A4 and 2D6:Recombinant enzymes, 3A4 and 2D6, generated using the ABL yeast expression system were used. For CYP3A4, the enzyme amou...				Bioorg Med Chem Lett 19: 1164-7 (2009) BindingDB Entry DOI: 10.7270/Q26D5WBR
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM388495 (US9944618, Compound ID No. 29) Show SMILES CCCNC(=O)CO[C@@H]([C@H](CNC)c1ccc2ccccc2c1)c1ccccc1 |r| Show InChI InChI=1S/C25H30N2O2/c1-3-15-27-24(28)18-29-25(20-10-5-4-6-11-20)23(17-26-2)22-14-13-19-9-7-8-12-21(19)16-22/h4-14,16,23,25-26H,3,15,17-18H2,1-2H3,(H,27,28)/t23-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description HERG: The pre- and post-compound hERG current was evoked by a single voltage pulse consisting of a 20 s period holding at −70 mV, a 160 ms step...				Bioorg Med Chem Lett 19: 1164-7 (2009) BindingDB Entry DOI: 10.7270/Q26D5WBR
					More data for this Ligand-Target Pair