BDBM50265313 3-(4-(3-(bis(4-fluorophenyl)amino)propyl)piperazin-1-yl)-1-phenylpropyl acetate::CHEMBL498600

SMILES: CC(=O)OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1

InChI Key: InChIKey=BOLNQVYXWUWJJK-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 = 50265313   

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 dopamine transporter (Rattus norvegicus (rat))	BDBM50265313 (3-(4-(3-(bis(4-fluorophenyl)amino)propyl)piperazin...) Show SMILES CC(=O)OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C30H35F2N3O2/c1-24(36)37-30(25-6-3-2-4-7-25)16-19-34-22-20-33(21-23-34)17-5-18-35(28-12-8-26(31)9-13-28)29-14-10-27(32)11-15-29/h2-4,6-15,30H,5,16-23H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from DAT in rat striatum membrane				Bioorg Med Chem Lett 18: 5238-41 (2008) Article DOI: 10.1016/j.bmcl.2008.08.065 BindingDB Entry DOI: 10.7270/Q2DB82SZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50265313 (3-(4-(3-(bis(4-fluorophenyl)amino)propyl)piperazin...) Show SMILES CC(=O)OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C30H35F2N3O2/c1-24(36)37-30(25-6-3-2-4-7-25)16-19-34-22-20-33(21-23-34)17-5-18-35(28-12-8-26(31)9-13-28)29-14-10-27(32)11-15-29/h2-4,6-15,30H,5,16-23H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane				Bioorg Med Chem Lett 18: 5238-41 (2008) Article DOI: 10.1016/j.bmcl.2008.08.065 BindingDB Entry DOI: 10.7270/Q2DB82SZ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50265313 (3-(4-(3-(bis(4-fluorophenyl)amino)propyl)piperazin...) Show SMILES CC(=O)OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C30H35F2N3O2/c1-24(36)37-30(25-6-3-2-4-7-25)16-19-34-22-20-33(21-23-34)17-5-18-35(28-12-8-26(31)9-13-28)29-14-10-27(32)11-15-29/h2-4,6-15,30H,5,16-23H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	204	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in rat brain stem membrane				Bioorg Med Chem Lett 18: 5238-41 (2008) Article DOI: 10.1016/j.bmcl.2008.08.065 BindingDB Entry DOI: 10.7270/Q2DB82SZ
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50265313 (3-(4-(3-(bis(4-fluorophenyl)amino)propyl)piperazin...) Show SMILES CC(=O)OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C30H35F2N3O2/c1-24(36)37-30(25-6-3-2-4-7-25)16-19-34-22-20-33(21-23-34)17-5-18-35(28-12-8-26(31)9-13-28)29-14-10-27(32)11-15-29/h2-4,6-15,30H,5,16-23H2,1H3	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from NET in rat frontal cortex membrane				Bioorg Med Chem Lett 18: 5238-41 (2008) Article DOI: 10.1016/j.bmcl.2008.08.065 BindingDB Entry DOI: 10.7270/Q2DB82SZ
					More data for this Ligand-Target Pair