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SMILES: FC(F)Oc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=GMTDFEZUDHTSAN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 159330   

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))	BDBM159330 (US9034899, 12 | US9604960, 12) Show SMILES FC(F)Oc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H15Cl2F2N3O/c21-16-4-2-11(8-17(16)22)15-10-25-9-13-7-12(1-3-14(13)15)18-5-6-19(27-26-18)28-20(23)24/h1-8,15,20,25H,9-10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.60	n/a	n/a	n/a	n/a	7.5	4
Albany Molecular Research, Inc. US Patent					Assay Description Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....				US Patent US9034899 (2015) BindingDB Entry DOI: 10.7270/Q20000VT
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM159330 (US9034899, 12 | US9604960, 12) Show SMILES FC(F)Oc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H15Cl2F2N3O/c21-16-4-2-11(8-17(16)22)15-10-25-9-13-7-12(1-3-14(13)15)18-5-6-19(27-26-18)28-20(23)24/h1-8,15,20,25H,9-10H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	50.2	n/a	n/a	n/a	n/a	7.9	4
Albany Molecular Research, Inc. US Patent					Assay Description Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....				US Patent US9034899 (2015) BindingDB Entry DOI: 10.7270/Q20000VT
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM159330 (US9034899, 12 | US9604960, 12) Show SMILES FC(F)Oc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H15Cl2F2N3O/c21-16-4-2-11(8-17(16)22)15-10-25-9-13-7-12(1-3-14(13)15)18-5-6-19(27-26-18)28-20(23)24/h1-8,15,20,25H,9-10H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research, Inc. US Patent					Assay Description Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....				US Patent US9604960 (2017) BindingDB Entry DOI: 10.7270/Q2QC05KM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM159330 (US9034899, 12 | US9604960, 12) Show SMILES FC(F)Oc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H15Cl2F2N3O/c21-16-4-2-11(8-17(16)22)15-10-25-9-13-7-12(1-3-14(13)15)18-5-6-19(27-26-18)28-20(23)24/h1-8,15,20,25H,9-10H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research, Inc. US Patent					Assay Description Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....				US Patent US9604960 (2017) BindingDB Entry DOI: 10.7270/Q2QC05KM
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM159330 (US9034899, 12 | US9604960, 12) Show SMILES FC(F)Oc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H15Cl2F2N3O/c21-16-4-2-11(8-17(16)22)15-10-25-9-13-7-12(1-3-14(13)15)18-5-6-19(27-26-18)28-20(23)24/h1-8,15,20,25H,9-10H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research, Inc. US Patent					Assay Description Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 0....				US Patent US9604960 (2017) BindingDB Entry DOI: 10.7270/Q2QC05KM
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM159330 (US9034899, 12 | US9604960, 12) Show SMILES FC(F)Oc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H15Cl2F2N3O/c21-16-4-2-11(8-17(16)22)15-10-25-9-13-7-12(1-3-14(13)15)18-5-6-19(27-26-18)28-20(23)24/h1-8,15,20,25H,9-10H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18.8	n/a	n/a	n/a	n/a	7.5	4
Albany Molecular Research, Inc. US Patent					Assay Description Compounds were dissolved in 100% DMSO at a concentration 100 times the desired highest assay concentration, serially diluted 1:3 in 100% DMSO, and 1....				US Patent US9034899 (2015) BindingDB Entry DOI: 10.7270/Q20000VT
					More data for this Ligand-Target Pair