BDBM86046 R-citalopram

SMILES: CN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1

InChI Key: InChIKey=WSEQXVZVJXJVFP-HXUWFJFHSA-N

Data: 10 KI  1 IC50  1 EC50

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 12 hits for monomerid = 86046   

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))	BDBM86046 (R-citalopram) Show SMILES CN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by PDSP Ki Database									Encephale 28: 350-5 (2002) BindingDB Entry DOI: 10.7270/Q24J0CPW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM86046 (R-citalopram) Show SMILES CN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by PDSP Ki Database									Encephale 28: 350-5 (2002) BindingDB Entry DOI: 10.7270/Q24J0CPW
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM86046 (R-citalopram) Show SMILES CN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PubMed	181	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by PDSP Ki Database									Encephale 28: 350-5 (2002) BindingDB Entry DOI: 10.7270/Q24J0CPW
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM86046 (R-citalopram) Show SMILES CN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PubMed	559	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by PDSP Ki Database									Encephale 28: 350-5 (2002) BindingDB Entry DOI: 10.7270/Q24J0CPW
					More data for this Ligand-Target Pair
HTR2C (PORCINE)	BDBM86046 (R-citalopram) Show SMILES CN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m1/s1	Reactome pathway GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by PDSP Ki Database									Encephale 28: 350-5 (2002) BindingDB Entry DOI: 10.7270/Q24J0CPW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM86046 (R-citalopram) Show SMILES CN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m1/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PubMed	2.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by PDSP Ki Database									Encephale 28: 350-5 (2002) BindingDB Entry DOI: 10.7270/Q24J0CPW
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM86046 (R-citalopram) Show SMILES CN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PubMed	6.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by PDSP Ki Database									Encephale 28: 350-5 (2002) BindingDB Entry DOI: 10.7270/Q24J0CPW
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM86046 (R-citalopram) Show SMILES CN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by PDSP Ki Database									Encephale 28: 350-5 (2002) BindingDB Entry DOI: 10.7270/Q24J0CPW
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM86046 (R-citalopram) Show SMILES CN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by PDSP Ki Database									Encephale 28: 350-5 (2002) BindingDB Entry DOI: 10.7270/Q24J0CPW
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM86046 (R-citalopram) Show SMILES CN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by PDSP Ki Database									Encephale 28: 350-5 (2002) BindingDB Entry DOI: 10.7270/Q24J0CPW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM86046 (R-citalopram) Show SMILES CN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake by SERT primary site (S1) (unknown origin) expressed in African green monkey COS1 cells after 10 mins by TopCount scint...				Bioorg Med Chem Lett 27: 470-478 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM86046 (R-citalopram) Show SMILES CN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a
3D-2drug, LLC Curated by ChEMBL					Assay Description Inhibition of [3H]-S-citalopram dissociation from SERT allosteric modulator site (S2) (unknown origin) expressed in African green monkey COS1 cell me...				Bioorg Med Chem Lett 27: 470-478 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q6K
					More data for this Ligand-Target Pair