BDBM50054731 1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-(3-phenyl-propyl)-[1,4]diazepane::CHEMBL142674

SMILES: Fc1ccc(cc1)C(OCCN1CCCN(CCCc2ccccc2)CC1)c1ccc(F)cc1

InChI Key: InChIKey=DUNNQMCSUALPMK-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50054731   

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))	BDBM50054731 (1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-(3-p...) Show SMILES Fc1ccc(cc1)C(OCCN1CCCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H34F2N2O/c30-27-13-9-25(10-14-27)29(26-11-15-28(31)16-12-26)34-23-22-33-19-5-18-32(20-21-33)17-4-8-24-6-2-1-3-7-24/h1-3,6-7,9-16,29H,4-5,8,17-23H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding against Dopamine transporter using radioligand as [3H]GBR 12935				J Med Chem 39: 4704-16 (1997) Article DOI: 10.1021/jm960305h BindingDB Entry DOI: 10.7270/Q2QZ2BN6
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50054731 (1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-(3-p...) Show SMILES Fc1ccc(cc1)C(OCCN1CCCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H34F2N2O/c30-27-13-9-25(10-14-27)29(26-11-15-28(31)16-12-26)34-23-22-33-19-5-18-32(20-21-33)17-4-8-24-6-2-1-3-7-24/h1-3,6-7,9-16,29H,4-5,8,17-23H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake at rat serotonin transporter				J Med Chem 39: 4704-16 (1997) Article DOI: 10.1021/jm960305h BindingDB Entry DOI: 10.7270/Q2QZ2BN6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50054731 (1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-(3-p...) Show SMILES Fc1ccc(cc1)C(OCCN1CCCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H34F2N2O/c30-27-13-9-25(10-14-27)29(26-11-15-28(31)16-12-26)34-23-22-33-19-5-18-32(20-21-33)17-4-8-24-6-2-1-3-7-24/h1-3,6-7,9-16,29H,4-5,8,17-23H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of dopamine DA reuptake				J Med Chem 39: 4704-16 (1997) Article DOI: 10.1021/jm960305h BindingDB Entry DOI: 10.7270/Q2QZ2BN6
					More data for this Ligand-Target Pair