BDBM50217567 (2-(3-chlorophenoxy)-5-(4-morpholinobut-1-ynyl)phenyl)-N-methylmethanamine::CHEMBL397575

SMILES: CNCc1cc(ccc1Oc1cccc(Cl)c1)C#CCCN1CCOCC1

InChI Key: InChIKey=VAICHSCZMSGKPN-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 = 50217567   

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
Histamine H3 receptor (Homo sapiens (Human))	BDBM50217567 ((2-(3-chlorophenoxy)-5-(4-morpholinobut-1-ynyl)phe...) Show SMILES CNCc1cc(ccc1Oc1cccc(Cl)c1)C#CCCN1CCOCC1 Show InChI InChI=1S/C22H25ClN2O2/c1-24-17-19-15-18(5-2-3-10-25-11-13-26-14-12-25)8-9-22(19)27-21-7-4-6-20(23)16-21/h4,6-9,15-16,24H,3,10-14,17H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50217567 ((2-(3-chlorophenoxy)-5-(4-morpholinobut-1-ynyl)phe...) Show SMILES CNCc1cc(ccc1Oc1cccc(Cl)c1)C#CCCN1CCOCC1 Show InChI InChI=1S/C22H25ClN2O2/c1-24-17-19-15-18(5-2-3-10-25-11-13-26-14-12-25)8-9-22(19)27-21-7-4-6-20(23)16-21/h4,6-9,15-16,24H,3,10-14,17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	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 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))	BDBM50217567 ((2-(3-chlorophenoxy)-5-(4-morpholinobut-1-ynyl)phe...) Show SMILES CNCc1cc(ccc1Oc1cccc(Cl)c1)C#CCCN1CCOCC1 Show InChI InChI=1S/C22H25ClN2O2/c1-24-17-19-15-18(5-2-3-10-25-11-13-26-14-12-25)8-9-22(19)27-21-7-4-6-20(23)16-21/h4,6-9,15-16,24H,3,10-14,17H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.30	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 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