BDBM50265356 3-(4-(3-(bis(4-fluorophenyl)amino)propyl)piperazin-1-yl)-1-phenylpropyl 3-phenylpropanoate::CHEMBL443649

SMILES: Fc1ccc(cc1)N(CCCN1CCN(CCC(OC(=O)CCc2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1

InChI Key: InChIKey=HMGVPHBFARTUCU-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 = 50265356   

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))	BDBM50265356 (3-(4-(3-(bis(4-fluorophenyl)amino)propyl)piperazin...) Show SMILES Fc1ccc(cc1)N(CCCN1CCN(CCC(OC(=O)CCc2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C37H41F2N3O2/c38-32-13-17-34(18-14-32)42(35-19-15-33(39)16-20-35)24-7-23-40-26-28-41(29-27-40)25-22-36(31-10-5-2-6-11-31)44-37(43)21-12-30-8-3-1-4-9-30/h1-6,8-11,13-20,36H,7,12,21-29H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36.6	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]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))	BDBM50265356 (3-(4-(3-(bis(4-fluorophenyl)amino)propyl)piperazin...) Show SMILES Fc1ccc(cc1)N(CCCN1CCN(CCC(OC(=O)CCc2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C37H41F2N3O2/c38-32-13-17-34(18-14-32)42(35-19-15-33(39)16-20-35)24-7-23-40-26-28-41(29-27-40)25-22-36(31-10-5-2-6-11-31)44-37(43)21-12-30-8-3-1-4-9-30/h1-6,8-11,13-20,36H,7,12,21-29H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	235	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))	BDBM50265356 (3-(4-(3-(bis(4-fluorophenyl)amino)propyl)piperazin...) Show SMILES Fc1ccc(cc1)N(CCCN1CCN(CCC(OC(=O)CCc2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C37H41F2N3O2/c38-32-13-17-34(18-14-32)42(35-19-15-33(39)16-20-35)24-7-23-40-26-28-41(29-27-40)25-22-36(31-10-5-2-6-11-31)44-37(43)21-12-30-8-3-1-4-9-30/h1-6,8-11,13-20,36H,7,12,21-29H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	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))	BDBM50265356 (3-(4-(3-(bis(4-fluorophenyl)amino)propyl)piperazin...) Show SMILES Fc1ccc(cc1)N(CCCN1CCN(CCC(OC(=O)CCc2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C37H41F2N3O2/c38-32-13-17-34(18-14-32)42(35-19-15-33(39)16-20-35)24-7-23-40-26-28-41(29-27-40)25-22-36(31-10-5-2-6-11-31)44-37(43)21-12-30-8-3-1-4-9-30/h1-6,8-11,13-20,36H,7,12,21-29H2	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.35E+3	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