BDBM50182761 CHEMBL3818345

SMILES: Cl.Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1cccc(-c2noc(=O)[nH]2)c1=O

InChI Key: InChIKey=VVBVSAHPLAVUMM-MIRNQTQTSA-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 = 50182761   

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))	BDBM50182761 (CHEMBL3818345) Show SMILES Cl.Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1cccc(-c2noc(=O)[nH]2)c1=O |r| Show InChI InChI=1S/C19H18ClFN4O4.ClH/c20-14-4-3-11(8-15(14)21)16-12(9-22-5-7-28-16)10-25-6-1-2-13(18(25)26)17-23-19(27)29-24-17;/h1-4,6,8,12,16,22H,5,7,9-10H2,(H,23,24,27);1H/t12-,16-;/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	1	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))	BDBM50182761 (CHEMBL3818345) Show SMILES Cl.Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1cccc(-c2noc(=O)[nH]2)c1=O |r| Show InChI InChI=1S/C19H18ClFN4O4.ClH/c20-14-4-3-11(8-15(14)21)16-12(9-22-5-7-28-16)10-25-6-1-2-13(18(25)26)17-23-19(27)29-24-17;/h1-4,6,8,12,16,22H,5,7,9-10H2,(H,23,24,27);1H/t12-,16-;/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))	BDBM50182761 (CHEMBL3818345) Show SMILES Cl.Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1cccc(-c2noc(=O)[nH]2)c1=O |r| Show InChI InChI=1S/C19H18ClFN4O4.ClH/c20-14-4-3-11(8-15(14)21)16-12(9-22-5-7-28-16)10-25-6-1-2-13(18(25)26)17-23-19(27)29-24-17;/h1-4,6,8,12,16,22H,5,7,9-10H2,(H,23,24,27);1H/t12-,16-;/m0./s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	380	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