BDBM50107093 (3-{(3R,5R)-4-[2-(3,4-Dichloro-phenyl)-ethyl]-3,5-dimethyl-piperazin-1-yl}-propyl)-diphenyl-amine::(3-{4-[2-(3,4-Dichloro-phenyl)-ethyl]-3,5-dimethyl-piperazin-1-yl}-propyl)-diphenyl-amine::CHEMBL84971

SMILES: C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=ORGCRESQMYXKGH-DNQXCXABSA-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 = 50107093   

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
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50107093 ((3-{(3R,5R)-4-[2-(3,4-Dichloro-phenyl)-ethyl]-3,5-...) Show SMILES C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C29H35Cl2N3/c1-23-21-32(22-24(2)33(23)19-16-25-14-15-28(30)29(31)20-25)17-9-18-34(26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-15,20,23-24H,9,16-19,21-22H2,1-2H3/t23-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29.6	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 dopamine transporter (Rattus norvegicus (rat))	BDBM50107093 ((3-{(3R,5R)-4-[2-(3,4-Dichloro-phenyl)-ethyl]-3,5-...) Show SMILES C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C29H35Cl2N3/c1-23-21-32(22-24(2)33(23)19-16-25-14-15-28(30)29(31)20-25)17-9-18-34(26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-15,20,23-24H,9,16-19,21-22H2,1-2H3/t23-,24-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	261	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
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50107093 ((3-{(3R,5R)-4-[2-(3,4-Dichloro-phenyl)-ethyl]-3,5-...) Show SMILES C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C29H35Cl2N3/c1-23-21-32(22-24(2)33(23)19-16-25-14-15-28(30)29(31)20-25)17-9-18-34(26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-15,20,23-24H,9,16-19,21-22H2,1-2H3/t23-,24-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	272	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 serotonin transporter (Rattus norvegicus (rat))	BDBM50107093 ((3-{(3R,5R)-4-[2-(3,4-Dichloro-phenyl)-ethyl]-3,5-...) Show SMILES C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C29H35Cl2N3/c1-23-21-32(22-24(2)33(23)19-16-25-14-15-28(30)29(31)20-25)17-9-18-34(26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-15,20,23-24H,9,16-19,21-22H2,1-2H3/t23-,24-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.01E+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 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))	BDBM50107093 ((3-{(3R,5R)-4-[2-(3,4-Dichloro-phenyl)-ethyl]-3,5-...) Show SMILES C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C29H35Cl2N3/c1-23-21-32(22-24(2)33(23)19-16-25-14-15-28(30)29(31)20-25)17-9-18-34(26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-15,20,23-24H,9,16-19,21-22H2,1-2H3/t23-,24-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.01E+3	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)	BDBM50107093 ((3-{(3R,5R)-4-[2-(3,4-Dichloro-phenyl)-ethyl]-3,5-...) Show SMILES C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C29H35Cl2N3/c1-23-21-32(22-24(2)33(23)19-16-25-14-15-28(30)29(31)20-25)17-9-18-34(26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-15,20,23-24H,9,16-19,21-22H2,1-2H3/t23-,24-/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>3.00E+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)	BDBM50107093 ((3-{(3R,5R)-4-[2-(3,4-Dichloro-phenyl)-ethyl]-3,5-...) Show SMILES C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C29H35Cl2N3/c1-23-21-32(22-24(2)33(23)19-16-25-14-15-28(30)29(31)20-25)17-9-18-34(26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-15,20,23-24H,9,16-19,21-22H2,1-2H3/t23-,24-/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+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