null

SMILES: CCNc1ncc2c(n1)N(C)CCN(c1ccc(COC(CCNC)c3ccccc3)cc1)C2=O

InChI Key: InChIKey=XAMXFOAGBMDRHS-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 436558   

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 noradrenaline transporter (Homo sapiens (Human))	BDBM436558 (2-(ethylamino)-9- methyl-6-(4-((3- (methylamino)-1...) Show SMILES CCNc1ncc2c(n1)N(C)CCN(c1ccc(COC(CCNC)c3ccccc3)cc1)C2=O Show InChI InChI=1S/C27H34N6O2/c1-4-29-27-30-18-23-25(31-27)32(3)16-17-33(26(23)34)22-12-10-20(11-13-22)19-35-24(14-15-28-2)21-8-6-5-7-9-21/h5-13,18,24,28H,4,14-17,19H2,1-3H3,(H,29,30,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-nisoxetine from human NET expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01867 BindingDB Entry DOI: 10.7270/Q2JW8JKT
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM436558 (2-(ethylamino)-9- methyl-6-(4-((3- (methylamino)-1...) Show SMILES CCNc1ncc2c(n1)N(C)CCN(c1ccc(COC(CCNC)c3ccccc3)cc1)C2=O Show InChI InChI=1S/C27H34N6O2/c1-4-29-27-30-18-23-25(31-27)32(3)16-17-33(26(23)34)22-12-10-20(11-13-22)19-35-24(14-15-28-2)21-8-6-5-7-9-21/h5-13,18,24,28H,4,14-17,19H2,1-3H3,(H,29,30,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+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 NET: Human norepinephrine transporter (NET) enriched membranes (5 μg) were incubated with 5 nM of radiolabeled [3H]-Nisoxetin in assay buffer co...				US Patent US10590140 (2020) BindingDB Entry DOI: 10.7270/Q2WM1HGR
					More data for this Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1 [25-1103] (Homo sapiens (Human))	BDBM436558 (2-(ethylamino)-9- methyl-6-(4-((3- (methylamino)-1...) Show SMILES CCNc1ncc2c(n1)N(C)CCN(c1ccc(COC(CCNC)c3ccccc3)cc1)C2=O Show InChI InChI=1S/C27H34N6O2/c1-4-29-27-30-18-23-25(31-27)32(3)16-17-33(26(23)34)22-12-10-20(11-13-22)19-35-24(14-15-28-2)21-8-6-5-7-9-21/h5-13,18,24,28H,4,14-17,19H2,1-3H3,(H,29,30,31)	PDB UniProtKB/SwissProt 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 α2δ-1: Binding Assay to Human α2δ-1 Subunit of Cav2.2 Calcium Channel.Human α2δ-1 enriched membranes (2.5 μg) were...				US Patent US10590140 (2020) BindingDB Entry DOI: 10.7270/Q2WM1HGR
					More data for this Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1 [25-1103] (Homo sapiens (Human))	BDBM436558 (2-(ethylamino)-9- methyl-6-(4-((3- (methylamino)-1...) Show SMILES CCNc1ncc2c(n1)N(C)CCN(c1ccc(COC(CCNC)c3ccccc3)cc1)C2=O Show InChI InChI=1S/C27H34N6O2/c1-4-29-27-30-18-23-25(31-27)32(3)16-17-33(26(23)34)22-12-10-20(11-13-22)19-35-24(14-15-28-2)21-8-6-5-7-9-21/h5-13,18,24,28H,4,14-17,19H2,1-3H3,(H,29,30,31)	PDB UniProtKB/SwissProt 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 α2δ-1: Binding Assay to Human α2δ-1 Subunit of Cav2.2 Calcium Channel.Human α2δ-1 enriched membranes (2.5 μg) were...				US Patent US10590140 (2020) BindingDB Entry DOI: 10.7270/Q2WM1HGR
					More data for this Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1 (Homo sapiens (Human))	BDBM436558 (2-(ethylamino)-9- methyl-6-(4-((3- (methylamino)-1...) Show SMILES CCNc1ncc2c(n1)N(C)CCN(c1ccc(COC(CCNC)c3ccccc3)cc1)C2=O Show InChI InChI=1S/C27H34N6O2/c1-4-29-27-30-18-23-25(31-27)32(3)16-17-33(26(23)34)22-12-10-20(11-13-22)19-35-24(14-15-28-2)21-8-6-5-7-9-21/h5-13,18,24,28H,4,14-17,19H2,1-3H3,(H,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-gabapentin from human Cav alpha2delta1 expressed in CHO-K1 cell membranes incubated for 60 mins by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01867 BindingDB Entry DOI: 10.7270/Q2JW8JKT
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM436558 (2-(ethylamino)-9- methyl-6-(4-((3- (methylamino)-1...) Show SMILES CCNc1ncc2c(n1)N(C)CCN(c1ccc(COC(CCNC)c3ccccc3)cc1)C2=O Show InChI InChI=1S/C27H34N6O2/c1-4-29-27-30-18-23-25(31-27)32(3)16-17-33(26(23)34)22-12-10-20(11-13-22)19-35-24(14-15-28-2)21-8-6-5-7-9-21/h5-13,18,24,28H,4,14-17,19H2,1-3H3,(H,29,30,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NET expressed in HEK293 cells assessed as reduction in ASP+ uptake incubated for 20 mins before ASP+ addition and measured after ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01867 BindingDB Entry DOI: 10.7270/Q2JW8JKT
					More data for this Ligand-Target Pair