BDBM50098370 CHEMBL3593398

SMILES: Cl.CNC(=O)[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=RMDGDCHEMHTCTH-SKDRFNHKSA-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 = 50098370   

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 serotonin transporter (Homo sapiens (Human))	BDBM50098370 (CHEMBL3593398) Show SMILES Cl.CNC(=O)[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C13H16Cl2N2O2/c1-16-13(18)9-7-17-4-5-19-12(9)8-2-3-10(14)11(15)6-8/h2-3,6,9,12,17H,4-5,7H2,1H3,(H,16,18)/t9-,12+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of human SERT expressed in CHOK1 cells incubated for 20 mins by [3H]-5-hydroxytryptamine uptake assay				Bioorg Med Chem 23: 5000-14 (2015) Article DOI: 10.1016/j.bmc.2015.05.017 BindingDB Entry DOI: 10.7270/Q22F7Q6R
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50098370 (CHEMBL3593398) Show SMILES Cl.CNC(=O)[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C13H16Cl2N2O2/c1-16-13(18)9-7-17-4-5-19-12(9)8-2-3-10(14)11(15)6-8/h2-3,6,9,12,17H,4-5,7H2,1H3,(H,16,18)/t9-,12+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of human DAT expressed in CHOK1 cells incubated for 60 mins by [3H]-dopamine uptake assay				Bioorg Med Chem 23: 5000-14 (2015) Article DOI: 10.1016/j.bmc.2015.05.017 BindingDB Entry DOI: 10.7270/Q22F7Q6R
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50098370 (CHEMBL3593398) Show SMILES Cl.CNC(=O)[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C13H16Cl2N2O2/c1-16-13(18)9-7-17-4-5-19-12(9)8-2-3-10(14)11(15)6-8/h2-3,6,9,12,17H,4-5,7H2,1H3,(H,16,18)/t9-,12+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of human NET expressed in CHOK1 cells incubated for 45 mins by [3H]-norepinephrine uptake assay				Bioorg Med Chem 23: 5000-14 (2015) Article DOI: 10.1016/j.bmc.2015.05.017 BindingDB Entry DOI: 10.7270/Q22F7Q6R
					More data for this Ligand-Target Pair