BDBM50182792 CHEMBL3819217

SMILES: Cl.Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1c(cccc1=O)-c1noc(=O)[nH]1

InChI Key: InChIKey=VKYXOAPSILSIOL-XHXSRVRCSA-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 = 50182792   

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 noradrenaline transporter (Homo sapiens (Human))	BDBM50182792 (CHEMBL3819217) Show SMILES Cl.Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1c(cccc1=O)-c1noc(=O)[nH]1 |r| Show InChI InChI=1S/C19H18ClFN4O4.ClH/c20-13-5-4-11(8-14(13)21)17-12(9-22-6-7-28-17)10-25-15(2-1-3-16(25)26)18-23-19(27)29-24-18;/h1-5,8,12,17,22H,6-7,9-10H2,(H,23,24,27);1H/t12-,17-;/m0./s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	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 CHO cells assessed as [3H]-Norepinephrine reuptake incubated for 45 mins measured after 30 mins by topcount meth...				Bioorg Med Chem 24: 3716-26 (2016) BindingDB Entry DOI: 10.7270/Q2NP26B4
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50182792 (CHEMBL3819217) Show SMILES Cl.Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1c(cccc1=O)-c1noc(=O)[nH]1 |r| Show InChI InChI=1S/C19H18ClFN4O4.ClH/c20-13-5-4-11(8-14(13)21)17-12(9-22-6-7-28-17)10-25-15(2-1-3-16(25)26)18-23-19(27)29-24-18;/h1-5,8,12,17,22H,6-7,9-10H2,(H,23,24,27);1H/t12-,17-;/m0./s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 CHO cells assessed as [3H]-dopamine reuptake incubated for 60 mins measured after 30 mins by topcount method				Bioorg Med Chem 24: 3716-26 (2016) BindingDB Entry DOI: 10.7270/Q2NP26B4
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50182792 (CHEMBL3819217) Show SMILES Cl.Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1c(cccc1=O)-c1noc(=O)[nH]1 |r| Show InChI InChI=1S/C19H18ClFN4O4.ClH/c20-13-5-4-11(8-14(13)21)17-12(9-22-6-7-28-17)10-25-15(2-1-3-16(25)26)18-23-19(27)29-24-18;/h1-5,8,12,17,22H,6-7,9-10H2,(H,23,24,27);1H/t12-,17-;/m0./s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 CHO cells assessed as [3H]-5-hydroxytryptamine reuptake incubated for 20 mins measured after 30 mins by topcoun...				Bioorg Med Chem 24: 3716-26 (2016) BindingDB Entry DOI: 10.7270/Q2NP26B4
					More data for this Ligand-Target Pair