BDBM50300525 (1S,2R)-1-(3-fluorophenyl)-1-(3-methyl-1H-indol-1-yl)-3-(methylamino)propan-2-ol::CHEMBL576145

SMILES: CNC[C@@H](O)[C@H](c1cccc(F)c1)n1cc(C)c2ccccc12

InChI Key: InChIKey=SPBUAQRRWQFNRI-MOPGFXCFSA-N

Data: 2 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 2 hits for monomerid = 50300525   

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))	BDBM50300525 ((1S,2R)-1-(3-fluorophenyl)-1-(3-methyl-1H-indol-1-...) Show SMILES CNC[C@@H](O)[C@H](c1cccc(F)c1)n1cc(C)c2ccccc12 |r| Show InChI InChI=1S/C19H21FN2O/c1-13-12-22(17-9-4-3-8-16(13)17)19(18(23)11-21-2)14-6-5-7-15(20)10-14/h3-10,12,18-19,21,23H,11H2,1-2H3/t18-,19+/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	4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human NET expressed in MDCK-Net6 cells				Bioorg Med Chem Lett 19: 5807-10 (2009) Article DOI: 10.1016/j.bmcl.2009.07.050 BindingDB Entry DOI: 10.7270/Q2H70FV8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50300525 ((1S,2R)-1-(3-fluorophenyl)-1-(3-methyl-1H-indol-1-...) Show SMILES CNC[C@@H](O)[C@H](c1cccc(F)c1)n1cc(C)c2ccccc12 |r| Show InChI InChI=1S/C19H21FN2O/c1-13-12-22(17-9-4-3-8-16(13)17)19(18(23)11-21-2)14-6-5-7-15(20)10-14/h3-10,12,18-19,21,23H,11H2,1-2H3/t18-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	343	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in JAR cells				Bioorg Med Chem Lett 19: 5807-10 (2009) Article DOI: 10.1016/j.bmcl.2009.07.050 BindingDB Entry DOI: 10.7270/Q2H70FV8
					More data for this Ligand-Target Pair