BDBM50330789 CHEMBL1277501::N1-Methyl-N3-phenyl-N3-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-propane-1,3-diamine

SMILES: CNCCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1

InChI Key: InChIKey=XNCBCWQLSZMOOC-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50330789   

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))	BDBM50330789 (CHEMBL1277501 | N1-Methyl-N3-phenyl-N3-(4-(2-(pyrr...) Show SMILES CNCCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C22H31N3O/c1-23-14-7-17-25(20-8-3-2-4-9-20)21-10-12-22(13-11-21)26-19-18-24-15-5-6-16-24/h2-4,8-13,23H,5-7,14-19H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-N-R-methylhistamine from human H3 receptor isolated from C6 cells				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50330789 (CHEMBL1277501 | N1-Methyl-N3-phenyl-N3-(4-(2-(pyrr...) Show SMILES CNCCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C22H31N3O/c1-23-14-7-17-25(20-8-3-2-4-9-20)21-10-12-22(13-11-21)26-19-18-24-15-5-6-16-24/h2-4,8-13,23H,5-7,14-19H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-N-R-methylhistamine from rat H3 receptor				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50330789 (CHEMBL1277501 | N1-Methyl-N3-phenyl-N3-(4-(2-(pyrr...) Show SMILES CNCCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C22H31N3O/c1-23-14-7-17-25(20-8-3-2-4-9-20)21-10-12-22(13-11-21)26-19-18-24-15-5-6-16-24/h2-4,8-13,23H,5-7,14-19H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of SERT				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50330789 (CHEMBL1277501 | N1-Methyl-N3-phenyl-N3-(4-(2-(pyrr...) Show SMILES CNCCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C22H31N3O/c1-23-14-7-17-25(20-8-3-2-4-9-20)21-10-12-22(13-11-21)26-19-18-24-15-5-6-16-24/h2-4,8-13,23H,5-7,14-19H2,1H3	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from rat NET in rat cerebral cortex				J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F
					More data for this Ligand-Target Pair