BDBM50334776 CHEMBL1642907::trans-1-((2S,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylmethanamine

SMILES: CNC[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1

InChI Key: InChIKey=NDCNHLIWHOBKGK-MLGOLLRUSA-N

Data: 7 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 7 hits for monomerid = 50334776   

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))	BDBM50334776 (CHEMBL1642907 | trans-1-((2S,4R)-4-(3,4-dichloroph...) Show SMILES CNC[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting				Bioorg Med Chem 19: 663-76 (2011) Article DOI: 10.1016/j.bmc.2010.10.034 BindingDB Entry DOI: 10.7270/Q2639Q0M
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50334776 (CHEMBL1642907 | trans-1-((2S,4R)-4-(3,4-dichloroph...) Show SMILES CNC[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting				Bioorg Med Chem 19: 663-76 (2011) Article DOI: 10.1016/j.bmc.2010.10.034 BindingDB Entry DOI: 10.7270/Q2639Q0M
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50334776 (CHEMBL1642907 | trans-1-((2S,4R)-4-(3,4-dichloroph...) Show SMILES CNC[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting				Bioorg Med Chem 19: 663-76 (2011) Article DOI: 10.1016/j.bmc.2010.10.034 BindingDB Entry DOI: 10.7270/Q2639Q0M
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50334776 (CHEMBL1642907 | trans-1-((2S,4R)-4-(3,4-dichloroph...) Show SMILES CNC[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem 19: 663-76 (2011) Article DOI: 10.1016/j.bmc.2010.10.034 BindingDB Entry DOI: 10.7270/Q2639Q0M
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50334776 (CHEMBL1642907 | trans-1-((2S,4R)-4-(3,4-dichloroph...) Show SMILES CNC[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	917	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem 19: 663-76 (2011) Article DOI: 10.1016/j.bmc.2010.10.034 BindingDB Entry DOI: 10.7270/Q2639Q0M
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50334776 (CHEMBL1642907 | trans-1-((2S,4R)-4-(3,4-dichloroph...) Show SMILES CNC[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem 19: 663-76 (2011) Article DOI: 10.1016/j.bmc.2010.10.034 BindingDB Entry DOI: 10.7270/Q2639Q0M
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50334776 (CHEMBL1642907 | trans-1-((2S,4R)-4-(3,4-dichloroph...) Show SMILES CNC[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem 19: 663-76 (2011) Article DOI: 10.1016/j.bmc.2010.10.034 BindingDB Entry DOI: 10.7270/Q2639Q0M
					More data for this Ligand-Target Pair