BDBM50198610 4-(4-methoxyphenyl)-2-methyl-7-(3-(4-(trifluoromethyl)piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroisoquinoline::CHEMBL233681

SMILES: COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(CC3)C(F)(F)F)ccc12

InChI Key: InChIKey=STQJDUUWFXFIQR-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50198610   

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))	BDBM50198610 (4-(4-methoxyphenyl)-2-methyl-7-(3-(4-(trifluoromet...) Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(CC3)C(F)(F)F)ccc12 |w:8.8| Show InChI InChI=1S/C26H33F3N2O2/c1-30-17-20-16-23(33-15-3-12-31-13-10-21(11-14-31)26(27,28)29)8-9-24(20)25(18-30)19-4-6-22(32-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Binding affinity to human SERT				Bioorg Med Chem Lett 17: 702-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.089 BindingDB Entry DOI: 10.7270/Q23B5ZSS
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50198610 (4-(4-methoxyphenyl)-2-methyl-7-(3-(4-(trifluoromet...) Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(CC3)C(F)(F)F)ccc12 |w:8.8| Show InChI InChI=1S/C26H33F3N2O2/c1-30-17-20-16-23(33-15-3-12-31-13-10-21(11-14-31)26(27,28)29)8-9-24(20)25(18-30)19-4-6-22(32-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Binding affinity to rat SERT				Bioorg Med Chem Lett 17: 702-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.089 BindingDB Entry DOI: 10.7270/Q23B5ZSS
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50198610 (4-(4-methoxyphenyl)-2-methyl-7-(3-(4-(trifluoromet...) Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(CC3)C(F)(F)F)ccc12 |w:8.8| Show InChI InChI=1S/C26H33F3N2O2/c1-30-17-20-16-23(33-15-3-12-31-13-10-21(11-14-31)26(27,28)29)8-9-24(20)25(18-30)19-4-6-22(32-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor				Bioorg Med Chem Lett 17: 702-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.089 BindingDB Entry DOI: 10.7270/Q23B5ZSS
					More data for this Ligand-Target Pair