null

SMILES: NCCC(Oc1cccc2cnccc12)c1cccs1

InChI Key: InChIKey=PDBWSUCTAPCRIH-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 485746   

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
Neuroepithelial cell-transforming gene 1 protein (Homo sapiens)	BDBM485746 (3-(isoquinolin-5-yloxy)-3- (thiophen-2-yl)propan-1...) Show SMILES NCCC(Oc1cccc2cnccc12)c1cccs1 Show InChI InChI=1S/C16H16N2OS/c17-8-6-15(16-5-2-10-20-16)19-14-4-1-3-12-11-18-9-7-13(12)14/h1-5,7,9-11,15H,6,8,17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE PHARMACEUTICALS, S.A. US Patent					Assay Description Human norepinephrine transporter (NET) enriched membranes (5 μg) were incubated with 5 nM of radiolabeled [3H]-Nisoxetin in assay buffer contain...				US Patent US10941138 (2021) BindingDB Entry DOI: 10.7270/Q2XW4NXF
					More data for this Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1 (Homo sapiens (Human))	BDBM485746 (3-(isoquinolin-5-yloxy)-3- (thiophen-2-yl)propan-1...) Show SMILES NCCC(Oc1cccc2cnccc12)c1cccs1 Show InChI InChI=1S/C16H16N2OS/c17-8-6-15(16-5-2-10-20-16)19-14-4-1-3-12-11-18-9-7-13(12)14/h1-5,7,9-11,15H,6,8,17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE PHARMACEUTICALS, S.A. US Patent					Assay Description Human α2δ-1 enriched membranes (2.5 μg) were incubated with 15 nM of radiolabeled [3H]-Gabapentin in assay buffer containing Hepes-KOH...				US Patent US10941138 (2021) BindingDB Entry DOI: 10.7270/Q2XW4NXF
					More data for this Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1 (Homo sapiens (Human))	BDBM485746 (3-(isoquinolin-5-yloxy)-3- (thiophen-2-yl)propan-1...) Show SMILES NCCC(Oc1cccc2cnccc12)c1cccs1 Show InChI InChI=1S/C16H16N2OS/c17-8-6-15(16-5-2-10-20-16)19-14-4-1-3-12-11-18-9-7-13(12)14/h1-5,7,9-11,15H,6,8,17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE PHARMACEUTICALS, S.A. US Patent					Assay Description Human α2δ-1 enriched membranes (2.5 μg) were incubated with 15 nM of radiolabeled [3H]-Gabapentin in assay buffer containing Hepes-KOH...				US Patent US10941138 (2021) BindingDB Entry DOI: 10.7270/Q2XW4NXF
					More data for this Ligand-Target Pair