BDBM50217582 CHEMBL237512::N-methyl-N-(4-(3-((methylamino)methyl)-4-(4-(methylthio)phenoxy)phenyl)but-3-ynyl)cyclopropanamine

SMILES: CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN(C)C1CC1

InChI Key: InChIKey=FWJKAQILVAFVQQ-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50217582   

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))	BDBM50217582 (CHEMBL237512 | N-methyl-N-(4-(3-((methylamino)meth...) Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN(C)C1CC1 Show InChI InChI=1S/C23H28N2OS/c1-24-17-19-16-18(6-4-5-15-25(2)20-8-9-20)7-14-23(19)26-21-10-12-22(27-3)13-11-21/h7,10-14,16,20,24H,5,8-9,15,17H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	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 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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50217582 (CHEMBL237512 | N-methyl-N-(4-(3-((methylamino)meth...) Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN(C)C1CC1 Show InChI InChI=1S/C23H28N2OS/c1-24-17-19-16-18(6-4-5-15-25(2)20-8-9-20)7-14-23(19)26-21-10-12-22(27-3)13-11-21/h7,10-14,16,20,24H,5,8-9,15,17H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	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))	BDBM50217582 (CHEMBL237512 | N-methyl-N-(4-(3-((methylamino)meth...) Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN(C)C1CC1 Show InChI InChI=1S/C23H28N2OS/c1-24-17-19-16-18(6-4-5-15-25(2)20-8-9-20)7-14-23(19)26-21-10-12-22(27-3)13-11-21/h7,10-14,16,20,24H,5,8-9,15,17H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.10	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 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 noradrenaline transporter (Homo sapiens (Human))	BDBM50217582 (CHEMBL237512 | N-methyl-N-(4-(3-((methylamino)meth...) Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN(C)C1CC1 Show InChI InChI=1S/C23H28N2OS/c1-24-17-19-16-18(6-4-5-15-25(2)20-8-9-20)7-14-23(19)26-21-10-12-22(27-3)13-11-21/h7,10-14,16,20,24H,5,8-9,15,17H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	250	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 NET				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 dopamine transporter (Homo sapiens (Human))	BDBM50217582 (CHEMBL237512 | N-methyl-N-(4-(3-((methylamino)meth...) Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C#CCCN(C)C1CC1 Show InChI InChI=1S/C23H28N2OS/c1-24-17-19-16-18(6-4-5-15-25(2)20-8-9-20)7-14-23(19)26-21-10-12-22(27-3)13-11-21/h7,10-14,16,20,24H,5,8-9,15,17H2,1-3H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	400	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 DAT				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