null

SMILES: CCNc1ncc2c(n1)N(C)CCN(c1cccc(O[C@@H](CCNC)c3ccccc3)c1)C2=O

InChI Key: InChIKey=MGGCXTKDCMPNFI-QHCPKHFHSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 436373   

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))	BDBM436373 ((S)-2-(ethylamino)-9- methyl-6-(3-(3- (methylamino...) Show SMILES CCNc1ncc2c(n1)N(C)CCN(c1cccc(O[C@@H](CCNC)c3ccccc3)c1)C2=O |r| Show InChI InChI=1S/C26H32N6O2/c1-4-28-26-29-18-22-24(30-26)31(3)15-16-32(25(22)33)20-11-8-12-21(17-20)34-23(13-14-27-2)19-9-6-5-7-10-19/h5-12,17-18,23,27H,4,13-16H2,1-3H3,(H,28,29,30)/t23-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	29	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))	BDBM436373 ((S)-2-(ethylamino)-9- methyl-6-(3-(3- (methylamino...) Show SMILES CCNc1ncc2c(n1)N(C)CCN(c1cccc(O[C@@H](CCNC)c3ccccc3)c1)C2=O |r| Show InChI InChI=1S/C26H32N6O2/c1-4-28-26-29-18-22-24(30-26)31(3)15-16-32(25(22)33)20-11-8-12-21(17-20)34-23(13-14-27-2)19-9-6-5-7-10-19/h5-12,17-18,23,27H,4,13-16H2,1-3H3,(H,28,29,30)/t23-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	750	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))	BDBM436373 ((S)-2-(ethylamino)-9- methyl-6-(3-(3- (methylamino...) Show SMILES CCNc1ncc2c(n1)N(C)CCN(c1cccc(O[C@@H](CCNC)c3ccccc3)c1)C2=O |r| Show InChI InChI=1S/C26H32N6O2/c1-4-28-26-29-18-22-24(30-26)31(3)15-16-32(25(22)33)20-11-8-12-21(17-20)34-23(13-14-27-2)19-9-6-5-7-10-19/h5-12,17-18,23,27H,4,13-16H2,1-3H3,(H,28,29,30)/t23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.75E+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))	BDBM436373 ((S)-2-(ethylamino)-9- methyl-6-(3-(3- (methylamino...) Show SMILES CCNc1ncc2c(n1)N(C)CCN(c1cccc(O[C@@H](CCNC)c3ccccc3)c1)C2=O |r| Show InChI InChI=1S/C26H32N6O2/c1-4-28-26-29-18-22-24(30-26)31(3)15-16-32(25(22)33)20-11-8-12-21(17-20)34-23(13-14-27-2)19-9-6-5-7-10-19/h5-12,17-18,23,27H,4,13-16H2,1-3H3,(H,28,29,30)/t23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.75E+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))	BDBM436373 ((S)-2-(ethylamino)-9- methyl-6-(3-(3- (methylamino...) Show SMILES CCNc1ncc2c(n1)N(C)CCN(c1cccc(O[C@@H](CCNC)c3ccccc3)c1)C2=O |r| Show InChI InChI=1S/C26H32N6O2/c1-4-28-26-29-18-22-24(30-26)31(3)15-16-32(25(22)33)20-11-8-12-21(17-20)34-23(13-14-27-2)19-9-6-5-7-10-19/h5-12,17-18,23,27H,4,13-16H2,1-3H3,(H,28,29,30)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.24E+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))	BDBM436373 ((S)-2-(ethylamino)-9- methyl-6-(3-(3- (methylamino...) Show SMILES CCNc1ncc2c(n1)N(C)CCN(c1cccc(O[C@@H](CCNC)c3ccccc3)c1)C2=O |r| Show InChI InChI=1S/C26H32N6O2/c1-4-28-26-29-18-22-24(30-26)31(3)15-16-32(25(22)33)20-11-8-12-21(17-20)34-23(13-14-27-2)19-9-6-5-7-10-19/h5-12,17-18,23,27H,4,13-16H2,1-3H3,(H,28,29,30)/t23-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	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