BDBM388497 US9944618, Compound ID No. 31

SMILES: CNC[C@@H]([C@H](OCc1cccn(C)c1=O)c1ccccc1)c1ccc2ccccc2c1

InChI Key: InChIKey=VSNUOCFDBKBETJ-CLJLJLNGSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 388497   

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))	BDBM388497 (US9944618, Compound ID No. 31) Show SMILES CNC[C@@H]([C@H](OCc1cccn(C)c1=O)c1ccccc1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C27H28N2O2/c1-28-18-25(23-15-14-20-9-6-7-12-22(20)17-23)26(21-10-4-3-5-11-21)31-19-24-13-8-16-29(2)27(24)30/h3-17,25-26,28H,18-19H2,1-2H3/t25-,26-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.90	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))	BDBM388497 (US9944618, Compound ID No. 31) Show SMILES CNC[C@@H]([C@H](OCc1cccn(C)c1=O)c1ccccc1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C27H28N2O2/c1-28-18-25(23-15-14-20-9-6-7-12-22(20)17-23)26(21-10-4-3-5-11-21)31-19-24-13-8-16-29(2)27(24)30/h3-17,25-26,28H,18-19H2,1-2H3/t25-,26-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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))	BDBM388497 (US9944618, Compound ID No. 31) Show SMILES CNC[C@@H]([C@H](OCc1cccn(C)c1=O)c1ccccc1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C27H28N2O2/c1-28-18-25(23-15-14-20-9-6-7-12-22(20)17-23)26(21-10-4-3-5-11-21)31-19-24-13-8-16-29(2)27(24)30/h3-17,25-26,28H,18-19H2,1-2H3/t25-,26-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	24.6	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