BDBM50302225 (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile::(S)-citalopram::CHEMBL1508::CITALOPRAM::ESCITALOPRAM OXALATE::S(+)-citalopram::escitalopram

SMILES: CN(C)CCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F

InChI Key: InChIKey=WSEQXVZVJXJVFP-UHFFFAOYSA-N

Data: 9 KI  7 IC50  1 Kd  2 EC50

PDB links: 4 PDB IDs match this monomer.

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 20 hits for monomerid = 50302225   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
ATP-binding cassette sub-family C member 2 (Human)	BDBM50302225 (escitalopram | (1S)-1-[3-(dimethylamino)propyl]-1-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Human)	BDBM50302225 (escitalopram | (1S)-1-[3-(dimethylamino)propyl]-1-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Human)	BDBM50302225 (escitalopram | (1S)-1-[3-(dimethylamino)propyl]-1-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Human)	BDBM50302225 (escitalopram | (1S)-1-[3-(dimethylamino)propyl]-1-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Human)	BDBM50302225 (escitalopram | (1S)-1-[3-(dimethylamino)propyl]-1-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Human)	BDBM50302225 (escitalopram | (1S)-1-[3-(dimethylamino)propyl]-1-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Human)	BDBM50302225 (escitalopram | (1S)-1-[3-(dimethylamino)propyl]-1-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile salt export pump (Human)	BDBM50302225 (escitalopram | (1S)-1-[3-(dimethylamino)propyl]-1-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 3 (Human)	BDBM50302225 (escitalopram | (1S)-1-[3-(dimethylamino)propyl]-1-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 4 (Human)	BDBM50302225 (escitalopram | (1S)-1-[3-(dimethylamino)propyl]-1-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rat)	BDBM50302225 (escitalopram | (1S)-1-[3-(dimethylamino)propyl]-1-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Human)	BDBM50302225 (escitalopram | (1S)-1-[3-(dimethylamino)propyl]-1-...) Show SMILES Show InChI	GoogleScholar	UniChem		1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Human)	BDBM50302225 (escitalopram | (1S)-1-[3-(dimethylamino)propyl]-1-...) Show SMILES Show InChI	GoogleScholar	UniChem		1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Human)	BDBM50302225 (escitalopram | (1S)-1-[3-(dimethylamino)propyl]-1-...) Show SMILES Show InChI	GoogleScholar	UniChem		1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Human)	BDBM50302225 (escitalopram | (1S)-1-[3-(dimethylamino)propyl]-1-...) Show SMILES Show InChI	GoogleScholar	UniChem		1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Human)	BDBM50302225 (escitalopram | (1S)-1-[3-(dimethylamino)propyl]-1-...) Show SMILES Show InChI	GoogleScholar	UniChem		1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Human)	BDBM50302225 (escitalopram | (1S)-1-[3-(dimethylamino)propyl]-1-...) Show SMILES Show InChI	GoogleScholar	UniChem		2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Human)	BDBM50302225 (escitalopram | (1S)-1-[3-(dimethylamino)propyl]-1-...) Show SMILES Show InChI	GoogleScholar	UniChem		7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rat)	BDBM50302225 (escitalopram | (1S)-1-[3-(dimethylamino)propyl]-1-...) Show SMILES Show InChI	GoogleScholar	UniChem		8.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Transporter (Rat)	BDBM50302225 (escitalopram | (1S)-1-[3-(dimethylamino)propyl]-1-...) Show SMILES Show InChI	GoogleScholar	UniChem		1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair