BDBM50294256 2-((2,3-dichlorophenoxy)((R)-pyrrolidin-3-yl)methyl)pyridine::CHEMBL551573

SMILES: Clc1cccc(OC([C@@H]2CCNC2)c2ccccn2)c1Cl

InChI Key: InChIKey=KWWVMVUZZJMGRZ-ZVDHGWRTSA-N

Data: 6 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 6 hits for monomerid = 50294256   

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))	BDBM50294256 (2-((2,3-dichlorophenoxy)((R)-pyrrolidin-3-yl)methy...) Show SMILES Clc1cccc(OC([C@@H]2CCNC2)c2ccccn2)c1Cl |r| Show InChI InChI=1S/C16H16Cl2N2O/c17-12-4-3-6-14(15(12)18)21-16(11-7-9-19-10-11)13-5-1-2-8-20-13/h1-6,8,11,16,19H,7,9-10H2/t11-,16?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells				Bioorg Med Chem Lett 19: 2829-34 (2009) Article DOI: 10.1016/j.bmcl.2009.03.090 BindingDB Entry DOI: 10.7270/Q2HX1CQX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50294256 (2-((2,3-dichlorophenoxy)((R)-pyrrolidin-3-yl)methy...) Show SMILES Clc1cccc(OC([C@@H]2CCNC2)c2ccccn2)c1Cl |r| Show InChI InChI=1S/C16H16Cl2N2O/c17-12-4-3-6-14(15(12)18)21-16(11-7-9-19-10-11)13-5-1-2-8-20-13/h1-6,8,11,16,19H,7,9-10H2/t11-,16?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells				Bioorg Med Chem Lett 19: 2829-34 (2009) Article DOI: 10.1016/j.bmcl.2009.03.090 BindingDB Entry DOI: 10.7270/Q2HX1CQX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50294256 (2-((2,3-dichlorophenoxy)((R)-pyrrolidin-3-yl)methy...) Show SMILES Clc1cccc(OC([C@@H]2CCNC2)c2ccccn2)c1Cl |r| Show InChI InChI=1S/C16H16Cl2N2O/c17-12-4-3-6-14(15(12)18)21-16(11-7-9-19-10-11)13-5-1-2-8-20-13/h1-6,8,11,16,19H,7,9-10H2/t11-,16?/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at human DAT expressed in HEK293 cells				Bioorg Med Chem Lett 19: 2829-34 (2009) Article DOI: 10.1016/j.bmcl.2009.03.090 BindingDB Entry DOI: 10.7270/Q2HX1CQX
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50294256 (2-((2,3-dichlorophenoxy)((R)-pyrrolidin-3-yl)methy...) Show SMILES Clc1cccc(OC([C@@H]2CCNC2)c2ccccn2)c1Cl |r| Show InChI InChI=1S/C16H16Cl2N2O/c17-12-4-3-6-14(15(12)18)21-16(11-7-9-19-10-11)13-5-1-2-8-20-13/h1-6,8,11,16,19H,7,9-10H2/t11-,16?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]NA uptake at human NET expressed in HEK293 cells				Bioorg Med Chem Lett 19: 2829-34 (2009) Article DOI: 10.1016/j.bmcl.2009.03.090 BindingDB Entry DOI: 10.7270/Q2HX1CQX
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50294256 (2-((2,3-dichlorophenoxy)((R)-pyrrolidin-3-yl)methy...) Show SMILES Clc1cccc(OC([C@@H]2CCNC2)c2ccccn2)c1Cl |r| Show InChI InChI=1S/C16H16Cl2N2O/c17-12-4-3-6-14(15(12)18)21-16(11-7-9-19-10-11)13-5-1-2-8-20-13/h1-6,8,11,16,19H,7,9-10H2/t11-,16?/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at human DAT expressed in HEK293 cells				Bioorg Med Chem Lett 19: 2829-34 (2009) Article DOI: 10.1016/j.bmcl.2009.03.090 BindingDB Entry DOI: 10.7270/Q2HX1CQX
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50294256 (2-((2,3-dichlorophenoxy)((R)-pyrrolidin-3-yl)methy...) Show SMILES Clc1cccc(OC([C@@H]2CCNC2)c2ccccn2)c1Cl |r| Show InChI InChI=1S/C16H16Cl2N2O/c17-12-4-3-6-14(15(12)18)21-16(11-7-9-19-10-11)13-5-1-2-8-20-13/h1-6,8,11,16,19H,7,9-10H2/t11-,16?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of [3H]NA uptake at human NET expressed in HEK293 cells				Bioorg Med Chem Lett 19: 2829-34 (2009) Article DOI: 10.1016/j.bmcl.2009.03.090 BindingDB Entry DOI: 10.7270/Q2HX1CQX
					More data for this Ligand-Target Pair