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SMILES: CNCC[C@H](Oc1cccc2cnccc12)c1ccsc1

InChI Key: InChIKey=ZCVHLLHRVFCIKQ-INIZCTEOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 485770   

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)	BDBM485770 ((S)-3-(isoquinolin-5- yloxy)-N-methyl-3- (thiophen...) Show SMILES CNCC[C@H](Oc1cccc2cnccc12)c1ccsc1 |r| Show InChI InChI=1S/C17H18N2OS/c1-18-8-6-16(14-7-10-21-12-14)20-17-4-2-3-13-11-19-9-5-15(13)17/h2-5,7,9-12,16,18H,6,8H2,1H3/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	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)
					More data for this Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1 (Homo sapiens (Human))	BDBM485770 ((S)-3-(isoquinolin-5- yloxy)-N-methyl-3- (thiophen...) Show SMILES CNCC[C@H](Oc1cccc2cnccc12)c1ccsc1 |r| Show InChI InChI=1S/C17H18N2OS/c1-18-8-6-16(14-7-10-21-12-14)20-17-4-2-3-13-11-19-9-5-15(13)17/h2-5,7,9-12,16,18H,6,8H2,1H3/t16-/m0/s1	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)
					More data for this Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1 (Homo sapiens (Human))	BDBM485770 ((S)-3-(isoquinolin-5- yloxy)-N-methyl-3- (thiophen...) Show SMILES CNCC[C@H](Oc1cccc2cnccc12)c1ccsc1 |r| Show InChI InChI=1S/C17H18N2OS/c1-18-8-6-16(14-7-10-21-12-14)20-17-4-2-3-13-11-19-9-5-15(13)17/h2-5,7,9-12,16,18H,6,8H2,1H3/t16-/m0/s1	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)
					More data for this Ligand-Target Pair