BDBM50107089 CHEMBL433340::[3-((3R,5R)-3,5-Dimethyl-piperazin-1-yl)-propyl]-bis-(4-fluoro-phenyl)-amine::[3-(3,5-Dimethyl-piperazin-1-yl)-propyl]-bis-(4-fluoro-phenyl)-amine

SMILES: C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1

InChI Key: InChIKey=TWUIGSXFXJPBFN-IAGOWNOFSA-N

Data: 7 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 7 hits for monomerid = 50107089   

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))	BDBM50107089 (CHEMBL433340 | [3-((3R,5R)-3,5-Dimethyl-piperazin-...) Show SMILES C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1 Show InChI InChI=1S/C21H27F2N3/c1-16-14-25(15-17(2)24-16)12-3-13-26(20-8-4-18(22)5-9-20)21-10-6-19(23)7-11-21/h4-11,16-17,24H,3,12-15H2,1-2H3/t16-,17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	77.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA-IRP Curated by ChEMBL					Assay Description Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain				J Med Chem 46: 2589-98 (2003) Article DOI: 10.1021/jm030008u BindingDB Entry DOI: 10.7270/Q2H70GJN
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50107089 (CHEMBL433340 | [3-((3R,5R)-3,5-Dimethyl-piperazin-...) Show SMILES C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1 Show InChI InChI=1S/C21H27F2N3/c1-16-14-25(15-17(2)24-16)12-3-13-26(20-8-4-18(22)5-9-20)21-10-6-19(23)7-11-21/h4-11,16-17,24H,3,12-15H2,1-2H3/t16-,17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	83	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 Binding affinity at Dopamine transporter by displacing [3H]WIN-35428 from rat caudate putamen				Bioorg Med Chem Lett 11: 3169-73 (2001) BindingDB Entry DOI: 10.7270/Q2CC117R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50107089 (CHEMBL433340 | [3-((3R,5R)-3,5-Dimethyl-piperazin-...) Show SMILES C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1 Show InChI InChI=1S/C21H27F2N3/c1-16-14-25(15-17(2)24-16)12-3-13-26(20-8-4-18(22)5-9-20)21-10-6-19(23)7-11-21/h4-11,16-17,24H,3,12-15H2,1-2H3/t16-,17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA-IRP Curated by ChEMBL					Assay Description Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand				J Med Chem 46: 2589-98 (2003) Article DOI: 10.1021/jm030008u BindingDB Entry DOI: 10.7270/Q2H70GJN
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50107089 (CHEMBL433340 | [3-((3R,5R)-3,5-Dimethyl-piperazin-...) Show SMILES C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1 Show InChI InChI=1S/C21H27F2N3/c1-16-14-25(15-17(2)24-16)12-3-13-26(20-8-4-18(22)5-9-20)21-10-6-19(23)7-11-21/h4-11,16-17,24H,3,12-15H2,1-2H3/t16-,17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.31E+4	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 Binding affinity at Serotonin transporter using [3H]citalopram as radioligand from rat brain				Bioorg Med Chem Lett 11: 3169-73 (2001) BindingDB Entry DOI: 10.7270/Q2CC117R
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50107089 (CHEMBL433340 | [3-((3R,5R)-3,5-Dimethyl-piperazin-...) Show SMILES C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1 Show InChI InChI=1S/C21H27F2N3/c1-16-14-25(15-17(2)24-16)12-3-13-26(20-8-4-18(22)5-9-20)21-10-6-19(23)7-11-21/h4-11,16-17,24H,3,12-15H2,1-2H3/t16-,17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA-IRP Curated by ChEMBL					Assay Description Binding affinity against serotonin transporter by displacement of [3H]citalopram in rat brain				J Med Chem 46: 2589-98 (2003) Article DOI: 10.1021/jm030008u BindingDB Entry DOI: 10.7270/Q2H70GJN
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50107089 (CHEMBL433340 | [3-((3R,5R)-3,5-Dimethyl-piperazin-...) Show SMILES C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1 Show InChI InChI=1S/C21H27F2N3/c1-16-14-25(15-17(2)24-16)12-3-13-26(20-8-4-18(22)5-9-20)21-10-6-19(23)7-11-21/h4-11,16-17,24H,3,12-15H2,1-2H3/t16-,17-/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.69E+4	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 Binding affinity at norepinephrine transporter using [3H]nisoxetine as radioligand from rat brain				Bioorg Med Chem Lett 11: 3169-73 (2001) BindingDB Entry DOI: 10.7270/Q2CC117R
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50107089 (CHEMBL433340 | [3-((3R,5R)-3,5-Dimethyl-piperazin-...) Show SMILES C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1 Show InChI InChI=1S/C21H27F2N3/c1-16-14-25(15-17(2)24-16)12-3-13-26(20-8-4-18(22)5-9-20)21-10-6-19(23)7-11-21/h4-11,16-17,24H,3,12-15H2,1-2H3/t16-,17-/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.69E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDA-IRP Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from rat brain norepinephrine transporter				J Med Chem 46: 2589-98 (2003) Article DOI: 10.1021/jm030008u BindingDB Entry DOI: 10.7270/Q2H70GJN
					More data for this Ligand-Target Pair