null

SMILES: CC([NH-])=[N+]1CCC(CC1)Oc1ccc(NC\C=C\c2cccc(c2)C(N)=N)cc1[N+]([O-])=O

InChI Key: InChIKey=YNYVXZDENRCRMJ-HWKANZROSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50112488   

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
Coagulation factor X (Homo sapiens (Human))	BDBM50112488 (3-(3-{4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-ni...) Show SMILES CC([NH-])=[N+]1CCC(CC1)Oc1ccc(NC\C=C\c2cccc(c2)C(N)=N)cc1[N+]([O-])=O |(-5.78,-2.46,;-4.43,-3.23,;-4.45,-4.77,;-3.1,-2.46,;-3.1,-.92,;-1.77,-.16,;-.44,-.94,;-.44,-2.47,;-1.77,-3.24,;.91,-.17,;2.24,-.94,;2.24,-2.48,;3.57,-3.25,;4.91,-2.48,;6.24,-3.25,;6.24,-4.79,;7.58,-5.56,;7.57,-7.1,;8.9,-7.87,;8.91,-9.41,;10.25,-10.18,;11.58,-9.4,;11.57,-7.85,;10.23,-7.09,;12.9,-7.07,;12.89,-5.53,;14.24,-7.82,;4.91,-.94,;3.57,-.17,;3.55,1.37,;4.9,2.14,;2.22,2.14,)| Show InChI InChI=1S/C23H28N6O3/c1-16(24)28-12-9-20(10-13-28)32-22-8-7-19(15-21(22)29(30)31)27-11-3-5-17-4-2-6-18(14-17)23(25)26/h2-8,14-15,20,24,27H,9-13H2,1H3,(H3,25,26)/b5-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Competitive inhibition of coagulation factor Xa				Bioorg Med Chem Lett 12: 1307-10 (2002) BindingDB Entry DOI: 10.7270/Q21R6PV8
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50112488 (3-(3-{4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-ni...) Show SMILES CC([NH-])=[N+]1CCC(CC1)Oc1ccc(NC\C=C\c2cccc(c2)C(N)=N)cc1[N+]([O-])=O |(-5.78,-2.46,;-4.43,-3.23,;-4.45,-4.77,;-3.1,-2.46,;-3.1,-.92,;-1.77,-.16,;-.44,-.94,;-.44,-2.47,;-1.77,-3.24,;.91,-.17,;2.24,-.94,;2.24,-2.48,;3.57,-3.25,;4.91,-2.48,;6.24,-3.25,;6.24,-4.79,;7.58,-5.56,;7.57,-7.1,;8.9,-7.87,;8.91,-9.41,;10.25,-10.18,;11.58,-9.4,;11.57,-7.85,;10.23,-7.09,;12.9,-7.07,;12.89,-5.53,;14.24,-7.82,;4.91,-.94,;3.57,-.17,;3.55,1.37,;4.9,2.14,;2.22,2.14,)| Show InChI InChI=1S/C23H28N6O3/c1-16(24)28-12-9-20(10-13-28)32-22-8-7-19(15-21(22)29(30)31)27-11-3-5-17-4-2-6-18(14-17)23(25)26/h2-8,14-15,20,24,27H,9-13H2,1H3,(H3,25,26)/b5-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Competitive inhibition of trypsin				Bioorg Med Chem Lett 12: 1307-10 (2002) BindingDB Entry DOI: 10.7270/Q21R6PV8
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50112488 (3-(3-{4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-ni...) Show SMILES CC([NH-])=[N+]1CCC(CC1)Oc1ccc(NC\C=C\c2cccc(c2)C(N)=N)cc1[N+]([O-])=O |(-5.78,-2.46,;-4.43,-3.23,;-4.45,-4.77,;-3.1,-2.46,;-3.1,-.92,;-1.77,-.16,;-.44,-.94,;-.44,-2.47,;-1.77,-3.24,;.91,-.17,;2.24,-.94,;2.24,-2.48,;3.57,-3.25,;4.91,-2.48,;6.24,-3.25,;6.24,-4.79,;7.58,-5.56,;7.57,-7.1,;8.9,-7.87,;8.91,-9.41,;10.25,-10.18,;11.58,-9.4,;11.57,-7.85,;10.23,-7.09,;12.9,-7.07,;12.89,-5.53,;14.24,-7.82,;4.91,-.94,;3.57,-.17,;3.55,1.37,;4.9,2.14,;2.22,2.14,)| Show InChI InChI=1S/C23H28N6O3/c1-16(24)28-12-9-20(10-13-28)32-22-8-7-19(15-21(22)29(30)31)27-11-3-5-17-4-2-6-18(14-17)23(25)26/h2-8,14-15,20,24,27H,9-13H2,1H3,(H3,25,26)/b5-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Competitive inhibition of coagulation factor IIa				Bioorg Med Chem Lett 12: 1307-10 (2002) BindingDB Entry DOI: 10.7270/Q21R6PV8
					More data for this Ligand-Target Pair