BDBM50217588 (2-(3,4-dichlorophenoxy)-5-(4-(4-fluoropiperidin-1-yl)but-1-ynyl)phenyl)-N-methylmethanamine::CHEMBL237747

SMILES: CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C#CCCN1CCC(F)CC1

InChI Key: InChIKey=QSADIYOOZUGQQY-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 = 50217588   

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 (Rattus norvegicus (rat))	BDBM50217588 ((2-(3,4-dichlorophenoxy)-5-(4-(4-fluoropiperidin-1...) Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C#CCCN1CCC(F)CC1 Show InChI InChI=1S/C23H25Cl2FN2O/c1-27-16-18-14-17(4-2-3-11-28-12-9-19(26)10-13-28)5-8-23(18)29-20-6-7-21(24)22(25)15-20/h5-8,14-15,19,27H,3,9-13,16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development LLC Curated by ChEMBL					Assay Description Binding affinity to rat SERT				Bioorg Med Chem Lett 17: 4799-803 (2007) Article DOI: 10.1016/j.bmcl.2007.06.061 BindingDB Entry DOI: 10.7270/Q2F18ZFF
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50217588 ((2-(3,4-dichlorophenoxy)-5-(4-(4-fluoropiperidin-1...) Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C#CCCN1CCC(F)CC1 Show InChI InChI=1S/C23H25Cl2FN2O/c1-27-16-18-14-17(4-2-3-11-28-12-9-19(26)10-13-28)5-8-23(18)29-20-6-7-21(24)22(25)15-20/h5-8,14-15,19,27H,3,9-13,16H2,1H3	Reactome pathway 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 & Development LLC Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor				Bioorg Med Chem Lett 17: 4799-803 (2007) Article DOI: 10.1016/j.bmcl.2007.06.061 BindingDB Entry DOI: 10.7270/Q2F18ZFF
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50217588 ((2-(3,4-dichlorophenoxy)-5-(4-(4-fluoropiperidin-1...) Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C#CCCN1CCC(F)CC1 Show InChI InChI=1S/C23H25Cl2FN2O/c1-27-16-18-14-17(4-2-3-11-28-12-9-19(26)10-13-28)5-8-23(18)29-20-6-7-21(24)22(25)15-20/h5-8,14-15,19,27H,3,9-13,16H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development LLC Curated by ChEMBL					Assay Description Binding affinity to human SERT				Bioorg Med Chem Lett 17: 4799-803 (2007) Article DOI: 10.1016/j.bmcl.2007.06.061 BindingDB Entry DOI: 10.7270/Q2F18ZFF
					More data for this Ligand-Target Pair