BDBM388496 US9944618, Compound ID No. 30

SMILES: CNC[C@@H]([C@H](OCC(=O)N1CCC1)c1ccccc1)c1ccc2ccccc2c1

InChI Key: InChIKey=JIZLZTXHTCSSNE-ILBGXUMGSA-N

Data: 3 KI  1 IC50

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 4 hits for monomerid = 388496   

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))	BDBM388496 (US9944618, Compound ID No. 30) Show SMILES CNC[C@@H]([C@H](OCC(=O)N1CCC1)c1ccccc1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C25H28N2O2/c1-26-17-23(22-13-12-19-8-5-6-11-21(19)16-22)25(20-9-3-2-4-10-20)29-18-24(28)27-14-7-15-27/h2-6,8-13,16,23,25-26H,7,14-15,17-18H2,1H3/t23-,25-/m1/s1	PDB 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
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))	BDBM388496 (US9944618, Compound ID No. 30) Show SMILES CNC[C@@H]([C@H](OCC(=O)N1CCC1)c1ccccc1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C25H28N2O2/c1-26-17-23(22-13-12-19-8-5-6-11-21(19)16-22)25(20-9-3-2-4-10-20)29-18-24(28)27-14-7-15-27/h2-6,8-13,16,23,25-26H,7,14-15,17-18H2,1H3/t23-,25-/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))	BDBM388496 (US9944618, Compound ID No. 30) Show SMILES CNC[C@@H]([C@H](OCC(=O)N1CCC1)c1ccccc1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C25H28N2O2/c1-26-17-23(22-13-12-19-8-5-6-11-21(19)16-22)25(20-9-3-2-4-10-20)29-18-24(28)27-14-7-15-27/h2-6,8-13,16,23,25-26H,7,14-15,17-18H2,1H3/t23-,25-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14.3	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM388496 (US9944618, Compound ID No. 30) Show SMILES CNC[C@@H]([C@H](OCC(=O)N1CCC1)c1ccccc1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C25H28N2O2/c1-26-17-23(22-13-12-19-8-5-6-11-21(19)16-22)25(20-9-3-2-4-10-20)29-18-24(28)27-14-7-15-27/h2-6,8-13,16,23,25-26H,7,14-15,17-18H2,1H3/t23-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90E+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