BDBM159323 US9034899, 2::US9034899, 3::US9604960, 3

SMILES: CNc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(F)cc1

InChI Key: InChIKey=FBUHCPMYBAXIMM-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 159323   

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))	BDBM159323 (US9034899, 2 | US9034899, 3 | US9604960, 3) Show SMILES CNc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(F)cc1 Show InChI InChI=1S/C20H19FN4/c1-22-20-9-8-19(24-25-20)14-4-7-17-15(10-14)11-23-12-18(17)13-2-5-16(21)6-3-13/h2-10,18,23H,11-12H2,1H3,(H,22,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	144	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 serotonin transporter (Homo sapiens (Human))	BDBM159323 (US9034899, 2 | US9034899, 3 | US9604960, 3) Show SMILES CNc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(F)cc1 Show InChI InChI=1S/C20H19FN4/c1-22-20-9-8-19(24-25-20)14-4-7-17-15(10-14)11-23-12-18(17)13-2-5-16(21)6-3-13/h2-10,18,23H,11-12H2,1H3,(H,22,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	53.8	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 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))	BDBM159323 (US9034899, 2 | US9034899, 3 | US9604960, 3) Show SMILES CNc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(F)cc1 Show InChI InChI=1S/C20H19FN4/c1-22-20-9-8-19(24-25-20)14-4-7-17-15(10-14)11-23-12-18(17)13-2-5-16(21)6-3-13/h2-10,18,23H,11-12H2,1H3,(H,22,25)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	89.4	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 dopamine transporter (Homo sapiens (Human))	BDBM159323 (US9034899, 2 | US9034899, 3 | US9604960, 3) Show SMILES CNc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(F)cc1 Show InChI InChI=1S/C20H19FN4/c1-22-20-9-8-19(24-25-20)14-4-7-17-15(10-14)11-23-12-18(17)13-2-5-16(21)6-3-13/h2-10,18,23H,11-12H2,1H3,(H,22,25)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	90.5	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))	BDBM159323 (US9034899, 2 | US9034899, 3 | US9604960, 3) Show SMILES CNc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(F)cc1 Show InChI InChI=1S/C20H19FN4/c1-22-20-9-8-19(24-25-20)14-4-7-17-15(10-14)11-23-12-18(17)13-2-5-16(21)6-3-13/h2-10,18,23H,11-12H2,1H3,(H,22,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	150	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 noradrenaline transporter (Homo sapiens (Human))	BDBM159323 (US9034899, 2 | US9034899, 3 | US9604960, 3) Show SMILES CNc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(F)cc1 Show InChI InChI=1S/C20H19FN4/c1-22-20-9-8-19(24-25-20)14-4-7-17-15(10-14)11-23-12-18(17)13-2-5-16(21)6-3-13/h2-10,18,23H,11-12H2,1H3,(H,22,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	150	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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM159323 (US9034899, 2 | US9034899, 3 | US9604960, 3) Show SMILES CNc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(F)cc1 Show InChI InChI=1S/C20H19FN4/c1-22-20-9-8-19(24-25-20)14-4-7-17-15(10-14)11-23-12-18(17)13-2-5-16(21)6-3-13/h2-10,18,23H,11-12H2,1H3,(H,22,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	54	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))	BDBM159323 (US9034899, 2 | US9034899, 3 | US9604960, 3) Show SMILES CNc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(F)cc1 Show InChI InChI=1S/C20H19FN4/c1-22-20-9-8-19(24-25-20)14-4-7-17-15(10-14)11-23-12-18(17)13-2-5-16(21)6-3-13/h2-10,18,23H,11-12H2,1H3,(H,22,25)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	91	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))	BDBM159323 (US9034899, 2 | US9034899, 3 | US9604960, 3) Show SMILES CNc1ccc(nn1)-c1ccc2C(CNCc2c1)c1ccc(F)cc1 Show InChI InChI=1S/C20H19FN4/c1-22-20-9-8-19(24-25-20)14-4-7-17-15(10-14)11-23-12-18(17)13-2-5-16(21)6-3-13/h2-10,18,23H,11-12H2,1H3,(H,22,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	360	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