null

SMILES: CCNCc1cc(OCc2cc(F)ccc2F)n(CC2CCCCC2)n1

InChI Key: InChIKey=XZKSPPBUUZTCIB-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 322110   

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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM322110 (N-({1-(Cyclohexylmethyl)-5-[(2,5-difluorobenzyl)ox...) Show SMILES CCNCc1cc(OCc2cc(F)ccc2F)n(CC2CCCCC2)n1 Show InChI InChI=1S/C20H27F2N3O/c1-2-23-12-18-11-20(25(24-18)13-15-6-4-3-5-7-15)26-14-16-10-17(21)8-9-19(16)22/h8-11,15,23H,2-7,12-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5-HT2A: A solution containing 50 μL of [H]-ketanserin (the final concentration: 1 nM), 2 μL of a solution of a test compound in DMSO or a s...				Citation and Details
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM322110 (N-({1-(Cyclohexylmethyl)-5-[(2,5-difluorobenzyl)ox...) Show SMILES CCNCc1cc(OCc2cc(F)ccc2F)n(CC2CCCCC2)n1 Show InChI InChI=1S/C20H27F2N3O/c1-2-23-12-18-11-20(25(24-18)13-15-6-4-3-5-7-15)26-14-16-10-17(21)8-9-19(16)22/h8-11,15,23H,2-7,12-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SUMITOMO DAINIPPON PHARMA CO., LTD. US Patent					Assay Description A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...				US Patent US10183913 (2019) BindingDB Entry DOI: 10.7270/Q2MW2K73
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM322110 (N-({1-(Cyclohexylmethyl)-5-[(2,5-difluorobenzyl)ox...) Show SMILES CCNCc1cc(OCc2cc(F)ccc2F)n(CC2CCCCC2)n1 Show InChI InChI=1S/C20H27F2N3O/c1-2-23-12-18-11-20(25(24-18)13-15-6-4-3-5-7-15)26-14-16-10-17(21)8-9-19(16)22/h8-11,15,23H,2-7,12-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BV7KTS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens)	BDBM322110 (N-({1-(Cyclohexylmethyl)-5-[(2,5-difluorobenzyl)ox...) Show SMILES CCNCc1cc(OCc2cc(F)ccc2F)n(CC2CCCCC2)n1 Show InChI InChI=1S/C20H27F2N3O/c1-2-23-12-18-11-20(25(24-18)13-15-6-4-3-5-7-15)26-14-16-10-17(21)8-9-19(16)22/h8-11,15,23H,2-7,12-14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5-HT2C: A solution containing 50 μL of [H]-mesulergine (GE Healthcare) diluted with 50 mmol/L Tris-HCl (pH=7.4) (the final concentration: about ...				Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM322110 (N-({1-(Cyclohexylmethyl)-5-[(2,5-difluorobenzyl)ox...) Show SMILES CCNCc1cc(OCc2cc(F)ccc2F)n(CC2CCCCC2)n1 Show InChI InChI=1S/C20H27F2N3O/c1-2-23-12-18-11-20(25(24-18)13-15-6-4-3-5-7-15)26-14-16-10-17(21)8-9-19(16)22/h8-11,15,23H,2-7,12-14H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SUMITOMO DAINIPPON PHARMA CO., LTD. US Patent					Assay Description The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...				US Patent US10183913 (2019) BindingDB Entry DOI: 10.7270/Q2MW2K73
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM322110 (N-({1-(Cyclohexylmethyl)-5-[(2,5-difluorobenzyl)ox...) Show SMILES CCNCc1cc(OCc2cc(F)ccc2F)n(CC2CCCCC2)n1 Show InChI InChI=1S/C20H27F2N3O/c1-2-23-12-18-11-20(25(24-18)13-15-6-4-3-5-7-15)26-14-16-10-17(21)8-9-19(16)22/h8-11,15,23H,2-7,12-14H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Specifically, a solution containing 50 μL of [3H]-citalopram (GE Healthcare) diluted with SERT buffer (50 mmol/L Tris-HCl (pH=7.4) containing 12...				Citation and Details
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM322110 (N-({1-(Cyclohexylmethyl)-5-[(2,5-difluorobenzyl)ox...) Show SMILES CCNCc1cc(OCc2cc(F)ccc2F)n(CC2CCCCC2)n1 Show InChI InChI=1S/C20H27F2N3O/c1-2-23-12-18-11-20(25(24-18)13-15-6-4-3-5-7-15)26-14-16-10-17(21)8-9-19(16)22/h8-11,15,23H,2-7,12-14H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BV7KTS
					More data for this Ligand-Target Pair