BDBM50054730 1-(2-Benzhydryloxy-ethyl)-6,6-dimethyl-4-(3-phenyl-propyl)-[1,4]diazepane::CHEMBL143039

SMILES: CC1(C)CN(CCCc2ccccc2)CCN(CCOC(c2ccccc2)c2ccccc2)C1

InChI Key: InChIKey=PMRSEBICFQGPAR-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 = 50054730   

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))	BDBM50054730 (1-(2-Benzhydryloxy-ethyl)-6,6-dimethyl-4-(3-phenyl...) Show SMILES CC1(C)CN(CCCc2ccccc2)CCN(CCOC(c2ccccc2)c2ccccc2)C1 Show InChI InChI=1S/C31H40N2O/c1-31(2)25-32(20-12-15-27-13-6-3-7-14-27)21-22-33(26-31)23-24-34-30(28-16-8-4-9-17-28)29-18-10-5-11-19-29/h3-11,13-14,16-19,30H,12,15,20-26H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	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
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50054730 (1-(2-Benzhydryloxy-ethyl)-6,6-dimethyl-4-(3-phenyl...) Show SMILES CC1(C)CN(CCCc2ccccc2)CCN(CCOC(c2ccccc2)c2ccccc2)C1 Show InChI InChI=1S/C31H40N2O/c1-31(2)25-32(20-12-15-27-13-6-3-7-14-27)21-22-33(26-31)23-24-34-30(28-16-8-4-9-17-28)29-18-10-5-11-19-29/h3-11,13-14,16-19,30H,12,15,20-26H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	286	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 affinity 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))	BDBM50054730 (1-(2-Benzhydryloxy-ethyl)-6,6-dimethyl-4-(3-phenyl...) Show SMILES CC1(C)CN(CCCc2ccccc2)CCN(CCOC(c2ccccc2)c2ccccc2)C1 Show InChI InChI=1S/C31H40N2O/c1-31(2)25-32(20-12-15-27-13-6-3-7-14-27)21-22-33(26-31)23-24-34-30(28-16-8-4-9-17-28)29-18-10-5-11-19-29/h3-11,13-14,16-19,30H,12,15,20-26H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.15E+3	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