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SMILES: CNCCC(Oc1cccc2ncccc12)c1cccs1

InChI Key: InChIKey=ROKYHZXDTGMCJT-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 485704   

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
Voltage-dependent calcium channel subunit alpha-2/delta-1 (Homo sapiens (Human))	BDBM485704 (N-methyl-3-(quinolin-5- yloxy)-3-(thiophen-2- yl)p...) Show SMILES CNCCC(Oc1cccc2ncccc12)c1cccs1 Show InChI InChI=1S/C17H18N2OS/c1-18-11-9-16(17-8-4-12-21-17)20-15-7-2-6-14-13(15)5-3-10-19-14/h2-8,10,12,16,18H,9,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia 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 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))	BDBM485704 (N-methyl-3-(quinolin-5- yloxy)-3-(thiophen-2- yl)p...) Show SMILES CNCCC(Oc1cccc2ncccc12)c1cccs1 Show InChI InChI=1S/C17H18N2OS/c1-18-11-9-16(17-8-4-12-21-17)20-15-7-2-6-14-13(15)5-3-10-19-14/h2-8,10,12,16,18H,9,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia 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 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
Neuroepithelial cell-transforming gene 1 protein (Homo sapiens)	BDBM485704 (N-methyl-3-(quinolin-5- yloxy)-3-(thiophen-2- yl)p...) Show SMILES CNCCC(Oc1cccc2ncccc12)c1cccs1 Show InChI InChI=1S/C17H18N2OS/c1-18-11-9-16(17-8-4-12-21-17)20-15-7-2-6-14-13(15)5-3-10-19-14/h2-8,10,12,16,18H,9,11H2,1H3	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