BDBM50453922 CHEMBL4218476

SMILES: Cl.COc1ccccc1CCN1CCC(CCc2cccc(OCCF)c2)CC1

InChI Key: InChIKey=UIQIVXSXFCHFKX-UHFFFAOYSA-N

Data: 3 KI  1 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 4 hits for monomerid = 50453922   

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
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50453922 (CHEMBL4218476) Show SMILES Cl.COc1ccccc1CCN1CCC(CCc2cccc(OCCF)c2)CC1 Show InChI InChI=1S/C24H32FNO2/c1-27-24-8-3-2-6-22(24)13-17-26-15-11-20(12-16-26)9-10-21-5-4-7-23(19-21)28-18-14-25/h2-8,19-20H,9-18H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at VMAT2 in rat striatal synaptic vesicles by scintillation spectrometry				Bioorg Med Chem Lett 27: 5467-5472 (2017) Article DOI: 10.1016/j.bmcl.2017.10.039 BindingDB Entry DOI: 10.7270/Q2BP05B5
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50453922 (CHEMBL4218476) Show SMILES Cl.COc1ccccc1CCN1CCC(CCc2cccc(OCCF)c2)CC1 Show InChI InChI=1S/C24H32FNO2/c1-27-24-8-3-2-6-22(24)13-17-26-15-11-20(12-16-26)9-10-21-5-4-7-23(19-21)28-18-14-25/h2-8,19-20H,9-18H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of [3H]serotonin uptake at SERT in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measured after 10 mi...				Bioorg Med Chem Lett 27: 5467-5472 (2017) Article DOI: 10.1016/j.bmcl.2017.10.039 BindingDB Entry DOI: 10.7270/Q2BP05B5
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50453922 (CHEMBL4218476) Show SMILES Cl.COc1ccccc1CCN1CCC(CCc2cccc(OCCF)c2)CC1 Show InChI InChI=1S/C24H32FNO2/c1-27-24-8-3-2-6-22(24)13-17-26-15-11-20(12-16-26)9-10-21-5-4-7-23(19-21)28-18-14-25/h2-8,19-20H,9-18H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at dopamine transporter in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measu...				Bioorg Med Chem Lett 27: 5467-5472 (2017) Article DOI: 10.1016/j.bmcl.2017.10.039 BindingDB Entry DOI: 10.7270/Q2BP05B5
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50453922 (CHEMBL4218476) Show SMILES Cl.COc1ccccc1CCN1CCC(CCc2cccc(OCCF)c2)CC1 Show InChI InChI=1S/C24H32FNO2/c1-27-24-8-3-2-6-22(24)13-17-26-15-11-20(12-16-26)9-10-21-5-4-7-23(19-21)28-18-14-25/h2-8,19-20H,9-18H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]Dofetilide from human ERG expressed in HEK293 cells after 60 mins by scintillation spectrometry				Bioorg Med Chem Lett 27: 5467-5472 (2017) Article DOI: 10.1016/j.bmcl.2017.10.039 BindingDB Entry DOI: 10.7270/Q2BP05B5
					More data for this Ligand-Target Pair