BDBM50217568 1-isopropyl-4-(4-(3-((methylamino)methyl)-4-(4-(methylthio)phenoxy)phenyl)but-3-ynyl)piperazin-2-one::CHEMBL393009

SMILES: CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCN(C(C)C)C(=O)C1

InChI Key: InChIKey=UTVHDSOXYJJRDY-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 = 50217568   

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))	BDBM50217568 (1-isopropyl-4-(4-(3-((methylamino)methyl)-4-(4-(me...) Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCN(C(C)C)C(=O)C1 Show InChI InChI=1S/C26H33N3O2S/c1-20(2)29-16-15-28(19-26(29)30)14-6-5-7-21-8-13-25(22(17-21)18-27-3)31-23-9-11-24(32-4)12-10-23/h8-13,17,20,27H,6,14-16,18-19H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50217568 (1-isopropyl-4-(4-(3-((methylamino)methyl)-4-(4-(me...) Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCN(C(C)C)C(=O)C1 Show InChI InChI=1S/C26H33N3O2S/c1-20(2)29-16-15-28(19-26(29)30)14-6-5-7-21-8-13-25(22(17-21)18-27-3)31-23-9-11-24(32-4)12-10-23/h8-13,17,20,27H,6,14-16,18-19H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	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
Histamine H3 receptor (Homo sapiens (Human))	BDBM50217568 (1-isopropyl-4-(4-(3-((methylamino)methyl)-4-(4-(me...) Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN1CCN(C(C)C)C(=O)C1 Show InChI InChI=1S/C26H33N3O2S/c1-20(2)29-16-15-28(19-26(29)30)14-6-5-7-21-8-13-25(22(17-21)18-27-3)31-23-9-11-24(32-4)12-10-23/h8-13,17,20,27H,6,14-16,18-19H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.87E+3	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