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SMILES: CCNc1ncc2c(n1)N(C)CCN(c1cccc(c1)-n1cc(CNCC3CC3)nn1)C2=O

InChI Key: InChIKey=MLLSPSHXJVRFIL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 436509   

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 [25-1103] (Homo sapiens (Human))	BDBM436509 (6-(3-(4- (((cyclopropylmethyl) amino)methyl)-1H- 1...) Show SMILES CCNc1ncc2c(n1)N(C)CCN(c1cccc(c1)-n1cc(CNCC3CC3)nn1)C2=O Show InChI InChI=1S/C23H29N9O/c1-3-25-23-26-14-20-21(27-23)30(2)9-10-31(22(20)33)18-5-4-6-19(11-18)32-15-17(28-29-32)13-24-12-16-7-8-16/h4-6,11,14-16,24H,3,7-10,12-13H2,1-2H3,(H,25,26,27)	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 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)
					More data for this Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1 [25-1103] (Homo sapiens (Human))	BDBM436509 (6-(3-(4- (((cyclopropylmethyl) amino)methyl)-1H- 1...) Show SMILES CCNc1ncc2c(n1)N(C)CCN(c1cccc(c1)-n1cc(CNCC3CC3)nn1)C2=O Show InChI InChI=1S/C23H29N9O/c1-3-25-23-26-14-20-21(27-23)30(2)9-10-31(22(20)33)18-5-4-6-19(11-18)32-15-17(28-29-32)13-24-12-16-7-8-16/h4-6,11,14-16,24H,3,7-10,12-13H2,1-2H3,(H,25,26,27)	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 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)
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM436509 (6-(3-(4- (((cyclopropylmethyl) amino)methyl)-1H- 1...) Show SMILES CCNc1ncc2c(n1)N(C)CCN(c1cccc(c1)-n1cc(CNCC3CC3)nn1)C2=O Show InChI InChI=1S/C23H29N9O/c1-3-25-23-26-14-20-21(27-23)30(2)9-10-31(22(20)33)18-5-4-6-19(11-18)32-15-17(28-29-32)13-24-12-16-7-8-16/h4-6,11,14-16,24H,3,7-10,12-13H2,1-2H3,(H,25,26,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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 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)
					More data for this Ligand-Target Pair