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SMILES: COc1c(I)c(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2

InChI Key: InChIKey=ORXSRBCOMNTIRE-LLVKDONJSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50288283   

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 3A (RAT)	BDBM50288283 (4-Amino-N-(S)-1-aza-bicyclo[2.2.2]oct-3-yl-5-chlor...) Show SMILES COc1c(I)c(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2 |wU:14.14,(11.77,-27.01,;11.77,-25.48,;10.45,-24.71,;9.1,-25.48,;9.1,-27.01,;7.78,-24.71,;6.45,-25.48,;7.78,-23.17,;6.45,-22.4,;9.1,-22.4,;10.45,-23.17,;11.77,-22.4,;11.77,-20.86,;13.1,-23.17,;14.43,-22.4,;15.77,-23.18,;17.09,-22.42,;17.11,-20.88,;15.77,-20.1,;14.43,-20.86,;15.24,-22.25,;16.38,-21.1,)| Show InChI InChI=1S/C15H19ClIN3O2/c1-22-14-9(6-10(16)13(18)12(14)17)15(21)19-11-7-20-4-2-8(11)3-5-20/h6,8,11H,2-5,7,18H2,1H3,(H,19,21)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 6: 2657-2662 (1996) Article DOI: 10.1016/S0960-894X(96)00497-0 BindingDB Entry DOI: 10.7270/Q20V8CRP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50288283 (4-Amino-N-(S)-1-aza-bicyclo[2.2.2]oct-3-yl-5-chlor...) Show SMILES COc1c(I)c(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2 |wU:14.14,(11.77,-27.01,;11.77,-25.48,;10.45,-24.71,;9.1,-25.48,;9.1,-27.01,;7.78,-24.71,;6.45,-25.48,;7.78,-23.17,;6.45,-22.4,;9.1,-22.4,;10.45,-23.17,;11.77,-22.4,;11.77,-20.86,;13.1,-23.17,;14.43,-22.4,;15.77,-23.18,;17.09,-22.42,;17.11,-20.88,;15.77,-20.1,;14.43,-20.86,;15.24,-22.25,;16.38,-21.1,)| Show InChI InChI=1S/C15H19ClIN3O2/c1-22-14-9(6-10(16)13(18)12(14)17)15(21)19-11-7-20-4-2-8(11)3-5-20/h6,8,11H,2-5,7,18H2,1H3,(H,19,21)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.0750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards 5-hydroxytryptamine 3 receptor in whole rat brain using [125I]-DAIZAC as the radioligand.				Bioorg Med Chem Lett 6: 2657-2662 (1996) Article DOI: 10.1016/S0960-894X(96)00497-0 BindingDB Entry DOI: 10.7270/Q20V8CRP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50288283 (4-Amino-N-(S)-1-aza-bicyclo[2.2.2]oct-3-yl-5-chlor...) Show SMILES COc1c(I)c(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2 |wU:14.14,(11.77,-27.01,;11.77,-25.48,;10.45,-24.71,;9.1,-25.48,;9.1,-27.01,;7.78,-24.71,;6.45,-25.48,;7.78,-23.17,;6.45,-22.4,;9.1,-22.4,;10.45,-23.17,;11.77,-22.4,;11.77,-20.86,;13.1,-23.17,;14.43,-22.4,;15.77,-23.18,;17.09,-22.42,;17.11,-20.88,;15.77,-20.1,;14.43,-20.86,;15.24,-22.25,;16.38,-21.1,)| Show InChI InChI=1S/C15H19ClIN3O2/c1-22-14-9(6-10(16)13(18)12(14)17)15(21)19-11-7-20-4-2-8(11)3-5-20/h6,8,11H,2-5,7,18H2,1H3,(H,19,21)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.0520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for its antagonistic activity against 5-hydroxytryptamine 3 receptor in rat CNS.				Bioorg Med Chem Lett 6: 2657-2662 (1996) Article DOI: 10.1016/S0960-894X(96)00497-0 BindingDB Entry DOI: 10.7270/Q20V8CRP
					More data for this Ligand-Target Pair