BDBM50172771 1-(3,4-Difluoro-phenyl)-3-methyl-3-(3-methylamino-propyl)-3,4-dihydro-1H-quinolin-2-one::CHEMBL198011

SMILES: CNCCCC1(C)Cc2ccccc2N(C1=O)c1ccc(F)c(F)c1

InChI Key: InChIKey=OMMZYEKKLHJLJY-UHFFFAOYSA-N

Data: 3 KI

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 = 50172771   

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))	BDBM50172771 (1-(3,4-Difluoro-phenyl)-3-methyl-3-(3-methylamino-...) Show SMILES CNCCCC1(C)Cc2ccccc2N(C1=O)c1ccc(F)c(F)c1 Show InChI InChI=1S/C20H22F2N2O/c1-20(10-5-11-23-2)13-14-6-3-4-7-18(14)24(19(20)25)15-8-9-16(21)17(22)12-15/h3-4,6-9,12,23H,5,10-11,13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Ltd Curated by ChEMBL					Assay Description Inhibition of monoamine reuptake at norepinephrine transporter				Bioorg Med Chem Lett 15: 4432-7 (2005) Article DOI: 10.1016/j.bmcl.2005.07.038 BindingDB Entry DOI: 10.7270/Q2G44PTW
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50172771 (1-(3,4-Difluoro-phenyl)-3-methyl-3-(3-methylamino-...) Show SMILES CNCCCC1(C)Cc2ccccc2N(C1=O)c1ccc(F)c(F)c1 Show InChI InChI=1S/C20H22F2N2O/c1-20(10-5-11-23-2)13-14-6-3-4-7-18(14)24(19(20)25)15-8-9-16(21)17(22)12-15/h3-4,6-9,12,23H,5,10-11,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Ltd Curated by ChEMBL					Assay Description Inhibitio of monoamine reuptake at serotonin transporter				Bioorg Med Chem Lett 15: 4432-7 (2005) Article DOI: 10.1016/j.bmcl.2005.07.038 BindingDB Entry DOI: 10.7270/Q2G44PTW
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50172771 (1-(3,4-Difluoro-phenyl)-3-methyl-3-(3-methylamino-...) Show SMILES CNCCCC1(C)Cc2ccccc2N(C1=O)c1ccc(F)c(F)c1 Show InChI InChI=1S/C20H22F2N2O/c1-20(10-5-11-23-2)13-14-6-3-4-7-18(14)24(19(20)25)15-8-9-16(21)17(22)12-15/h3-4,6-9,12,23H,5,10-11,13H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Ltd Curated by ChEMBL					Assay Description Inhibition of monoamine reuptake at dopamine transporter				Bioorg Med Chem Lett 15: 4432-7 (2005) Article DOI: 10.1016/j.bmcl.2005.07.038 BindingDB Entry DOI: 10.7270/Q2G44PTW
					More data for this Ligand-Target Pair