BDBM50265354 3-(4-(3-(bis(4-fluorophenyl)amino)propyl)piperazin-1-yl)-1-phenylpropyl acrylate::CHEMBL496753

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

InChI Key: InChIKey=ABVNRCMHGLYMGT-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 = 50265354   

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))	BDBM50265354 (3-(4-(3-(bis(4-fluorophenyl)amino)propyl)piperazin...) Show SMILES Fc1ccc(cc1)N(CCCN1CCN(CCC(OC(=O)C=C)c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C31H35F2N3O2/c1-2-31(37)38-30(25-7-4-3-5-8-25)17-20-35-23-21-34(22-24-35)18-6-19-36(28-13-9-26(32)10-14-28)29-15-11-27(33)12-16-29/h2-5,7-16,30H,1,6,17-24H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.71	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))	BDBM50265354 (3-(4-(3-(bis(4-fluorophenyl)amino)propyl)piperazin...) Show SMILES Fc1ccc(cc1)N(CCCN1CCN(CCC(OC(=O)C=C)c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C31H35F2N3O2/c1-2-31(37)38-30(25-7-4-3-5-8-25)17-20-35-23-21-34(22-24-35)18-6-19-36(28-13-9-26(32)10-14-28)29-15-11-27(33)12-16-29/h2-5,7-16,30H,1,6,17-24H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	87.3	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](+)-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))	BDBM50265354 (3-(4-(3-(bis(4-fluorophenyl)amino)propyl)piperazin...) Show SMILES Fc1ccc(cc1)N(CCCN1CCN(CCC(OC(=O)C=C)c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C31H35F2N3O2/c1-2-31(37)38-30(25-7-4-3-5-8-25)17-20-35-23-21-34(22-24-35)18-6-19-36(28-13-9-26(32)10-14-28)29-15-11-27(33)12-16-29/h2-5,7-16,30H,1,6,17-24H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	318	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))	BDBM50265354 (3-(4-(3-(bis(4-fluorophenyl)amino)propyl)piperazin...) Show SMILES Fc1ccc(cc1)N(CCCN1CCN(CCC(OC(=O)C=C)c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C31H35F2N3O2/c1-2-31(37)38-30(25-7-4-3-5-8-25)17-20-35-23-21-34(22-24-35)18-6-19-36(28-13-9-26(32)10-14-28)29-15-11-27(33)12-16-29/h2-5,7-16,30H,1,6,17-24H2	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.95E+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