BDBM388468 US9944618, Compound ID No. 2::US9944618, Compound ID No. 90

SMILES: CNCC(Cc1ccccc1CO)c1ccc2ccccc2c1

InChI Key: InChIKey=BUZAYDYQPINNKR-UHFFFAOYSA-N

Data: 6 KI  4 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 10 hits for monomerid = 388468   

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 noradrenaline transporter (Homo sapiens (Human))	BDBM388468 (US9944618, Compound ID No. 2 | US9944618, Compound...) Show SMILES CNCC(Cc1ccccc1CO)c1ccc2ccccc2c1 Show InChI InChI=1S/C21H23NO/c1-22-14-21(13-18-8-4-5-9-20(18)15-23)19-11-10-16-6-2-3-7-17(16)12-19/h2-12,21-23H,13-15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 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 serotonin transporter (Homo sapiens (Human))	BDBM388468 (US9944618, Compound ID No. 2 | US9944618, Compound...) Show SMILES CNCC(Cc1ccccc1CO)c1ccc2ccccc2c1 Show InChI InChI=1S/C21H23NO/c1-22-14-21(13-18-8-4-5-9-20(18)15-23)19-11-10-16-6-2-3-7-17(16)12-19/h2-12,21-23H,13-15H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.5	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 dopamine transporter (Homo sapiens (Human))	BDBM388468 (US9944618, Compound ID No. 2 | US9944618, Compound...) Show SMILES CNCC(Cc1ccccc1CO)c1ccc2ccccc2c1 Show InChI InChI=1S/C21H23NO/c1-22-14-21(13-18-8-4-5-9-20(18)15-23)19-11-10-16-6-2-3-7-17(16)12-19/h2-12,21-23H,13-15H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.5	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
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM388468 (US9944618, Compound ID No. 2 | US9944618, Compound...) Show SMILES CNCC(Cc1ccccc1CO)c1ccc2ccccc2c1 Show InChI InChI=1S/C21H23NO/c1-22-14-21(13-18-8-4-5-9-20(18)15-23)19-11-10-16-6-2-3-7-17(16)12-19/h2-12,21-23H,13-15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	22.6	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 serotonin transporter (Homo sapiens (Human))	BDBM388468 (US9944618, Compound ID No. 2 | US9944618, Compound...) Show SMILES CNCC(Cc1ccccc1CO)c1ccc2ccccc2c1 Show InChI InChI=1S/C21H23NO/c1-22-14-21(13-18-8-4-5-9-20(18)15-23)19-11-10-16-6-2-3-7-17(16)12-19/h2-12,21-23H,13-15H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	25.4	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 dopamine transporter (Homo sapiens (Human))	BDBM388468 (US9944618, Compound ID No. 2 | US9944618, Compound...) Show SMILES CNCC(Cc1ccccc1CO)c1ccc2ccccc2c1 Show InChI InChI=1S/C21H23NO/c1-22-14-21(13-18-8-4-5-9-20(18)15-23)19-11-10-16-6-2-3-7-17(16)12-19/h2-12,21-23H,13-15H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	86.2	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM388468 (US9944618, Compound ID No. 2 | US9944618, Compound...) Show SMILES CNCC(Cc1ccccc1CO)c1ccc2ccccc2c1 Show InChI InChI=1S/C21H23NO/c1-22-14-21(13-18-8-4-5-9-20(18)15-23)19-11-10-16-6-2-3-7-17(16)12-19/h2-12,21-23H,13-15H2,1H3	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	1.20E+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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM388468 (US9944618, Compound ID No. 2 | US9944618, Compound...) Show SMILES CNCC(Cc1ccccc1CO)c1ccc2ccccc2c1 Show InChI InChI=1S/C21H23NO/c1-22-14-21(13-18-8-4-5-9-20(18)15-23)19-11-10-16-6-2-3-7-17(16)12-19/h2-12,21-23H,13-15H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	590	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))	BDBM388468 (US9944618, Compound ID No. 2 | US9944618, Compound...) Show SMILES CNCC(Cc1ccccc1CO)c1ccc2ccccc2c1 Show InChI InChI=1S/C21H23NO/c1-22-14-21(13-18-8-4-5-9-20(18)15-23)19-11-10-16-6-2-3-7-17(16)12-19/h2-12,21-23H,13-15H2,1H3	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	1.50E+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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM388468 (US9944618, Compound ID No. 2 | US9944618, Compound...) Show SMILES CNCC(Cc1ccccc1CO)c1ccc2ccccc2c1 Show InChI InChI=1S/C21H23NO/c1-22-14-21(13-18-8-4-5-9-20(18)15-23)19-11-10-16-6-2-3-7-17(16)12-19/h2-12,21-23H,13-15H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	170	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