BDBM50272744 CHEMBL443952::N-methyl((3S,4R)-4-(o-tolyloxy)-3,4-dihydro-1H-isochromen-3-yl)methanamine

SMILES: CNC[C@@H]1OCc2ccccc2[C@H]1Oc1ccccc1C

InChI Key: InChIKey=FHNHVNKWEHYJDJ-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 = 50272744   

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))	BDBM50272744 (CHEMBL443952 | N-methyl((3S,4R)-4-(o-tolyloxy)-3,4...) Show SMILES CNC[C@@H]1OCc2ccccc2[C@H]1Oc1ccccc1C |r| Show InChI InChI=1S/C18H21NO2/c1-13-7-3-6-10-16(13)21-18-15-9-5-4-8-14(15)12-20-17(18)11-19-2/h3-10,17-19H,11-12H2,1-2H3/t17-,18+/m0/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	1.00E+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 expressed in HEK293 cells				Bioorg Med Chem Lett 18: 4491-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.049 BindingDB Entry DOI: 10.7270/Q2S75H8V
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50272744 (CHEMBL443952 | N-methyl((3S,4R)-4-(o-tolyloxy)-3,4...) Show SMILES CNC[C@@H]1OCc2ccccc2[C@H]1Oc1ccccc1C |r| Show InChI InChI=1S/C18H21NO2/c1-13-7-3-6-10-16(13)21-18-15-9-5-4-8-14(15)12-20-17(18)11-19-2/h3-10,17-19H,11-12H2,1-2H3/t17-,18+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant CYP32D6				Bioorg Med Chem Lett 18: 4491-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.049 BindingDB Entry DOI: 10.7270/Q2S75H8V
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50272744 (CHEMBL443952 | N-methyl((3S,4R)-4-(o-tolyloxy)-3,4...) Show SMILES CNC[C@@H]1OCc2ccccc2[C@H]1Oc1ccccc1C |r| Show InChI InChI=1S/C18H21NO2/c1-13-7-3-6-10-16(13)21-18-15-9-5-4-8-14(15)12-20-17(18)11-19-2/h3-10,17-19H,11-12H2,1-2H3/t17-,18+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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 expressed in HEK293 cells				Bioorg Med Chem Lett 18: 4491-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.049 BindingDB Entry DOI: 10.7270/Q2S75H8V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50272744 (CHEMBL443952 | N-methyl((3S,4R)-4-(o-tolyloxy)-3,4...) Show SMILES CNC[C@@H]1OCc2ccccc2[C@H]1Oc1ccccc1C |r| Show InChI InChI=1S/C18H21NO2/c1-13-7-3-6-10-16(13)21-18-15-9-5-4-8-14(15)12-20-17(18)11-19-2/h3-10,17-19H,11-12H2,1-2H3/t17-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	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 expressed in HEK293 cells				Bioorg Med Chem Lett 18: 4491-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.049 BindingDB Entry DOI: 10.7270/Q2S75H8V
					More data for this Ligand-Target Pair