BDBM50245963 (1S,2R)-1-(3-fluoro-2-methylphenoxy)-2-((methylamino)methyl)-2,3-dihydro-1H-inden-2-ol::CHEMBL517423

SMILES: CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1cccc(F)c1C

InChI Key: InChIKey=LTGCAGJRXIORIR-ZWKOTPCHSA-N

Data: 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 4 hits for monomerid = 50245963   

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))	BDBM50245963 ((1S,2R)-1-(3-fluoro-2-methylphenoxy)-2-((methylami...) Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1cccc(F)c1C |r| Show InChI InChI=1S/C18H20FNO2/c1-12-15(19)8-5-9-16(12)22-17-14-7-4-3-6-13(14)10-18(17,21)11-20-2/h3-9,17,20-21H,10-11H2,1-2H3/t17-,18+/m0/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	3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of norepinephrine uptake at human NET transfected in HEK cells				Bioorg Med Chem Lett 18: 6151-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.013 BindingDB Entry DOI: 10.7270/Q2JS9Q86
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50245963 ((1S,2R)-1-(3-fluoro-2-methylphenoxy)-2-((methylami...) Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1cccc(F)c1C |r| Show InChI InChI=1S/C18H20FNO2/c1-12-15(19)8-5-9-16(12)22-17-14-7-4-3-6-13(14)10-18(17,21)11-20-2/h3-9,17,20-21H,10-11H2,1-2H3/t17-,18+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 18: 6151-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.013 BindingDB Entry DOI: 10.7270/Q2JS9Q86
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50245963 ((1S,2R)-1-(3-fluoro-2-methylphenoxy)-2-((methylami...) Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1cccc(F)c1C |r| Show InChI InChI=1S/C18H20FNO2/c1-12-15(19)8-5-9-16(12)22-17-14-7-4-3-6-13(14)10-18(17,21)11-20-2/h3-9,17,20-21H,10-11H2,1-2H3/t17-,18+/m0/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	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of dopamine uptake at human DAT transfected in HEK cells				Bioorg Med Chem Lett 18: 6151-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.013 BindingDB Entry DOI: 10.7270/Q2JS9Q86
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50245963 ((1S,2R)-1-(3-fluoro-2-methylphenoxy)-2-((methylami...) Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1cccc(F)c1C |r| Show InChI InChI=1S/C18H20FNO2/c1-12-15(19)8-5-9-16(12)22-17-14-7-4-3-6-13(14)10-18(17,21)11-20-2/h3-9,17,20-21H,10-11H2,1-2H3/t17-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of serotonin uptake at human SERT transfected in HEK cells				Bioorg Med Chem Lett 18: 6151-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.013 BindingDB Entry DOI: 10.7270/Q2JS9Q86
					More data for this Ligand-Target Pair