null

SMILES: CC(=N)N1CCC(CC1)Oc1ccc2N(Cc3cc4ccc(cc4n3C)C(N)=N)C(=O)COc2c1

InChI Key: InChIKey=DDWMFVRLSGMQCQ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50123426   

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
Anionic trypsin-2 (Rattus norvegicus)	BDBM50123426 (2-{7-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-oxo-2...) Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2N(Cc3cc4ccc(cc4n3C)C(N)=N)C(=O)COc2c1 Show InChI InChI=1S/C26H30N6O3/c1-16(27)31-9-7-20(8-10-31)35-21-5-6-22-24(13-21)34-15-25(33)32(22)14-19-11-17-3-4-18(26(28)29)12-23(17)30(19)2/h3-6,11-13,20,27H,7-10,14-15H2,1-2H3,(H3,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against trypsin				Bioorg Med Chem Lett 13: 561-6 (2003) BindingDB Entry DOI: 10.7270/Q2DB816X
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50123426 (2-{7-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-oxo-2...) Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2N(Cc3cc4ccc(cc4n3C)C(N)=N)C(=O)COc2c1 Show InChI InChI=1S/C26H30N6O3/c1-16(27)31-9-7-20(8-10-31)35-21-5-6-22-24(13-21)34-15-25(33)32(22)14-19-11-17-3-4-18(26(28)29)12-23(17)30(19)2/h3-6,11-13,20,27H,7-10,14-15H2,1-2H3,(H3,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration of the compound to factor Xa				Bioorg Med Chem Lett 13: 561-6 (2003) BindingDB Entry DOI: 10.7270/Q2DB816X
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50123426 (2-{7-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-3-oxo-2...) Show SMILES CC(=N)N1CCC(CC1)Oc1ccc2N(Cc3cc4ccc(cc4n3C)C(N)=N)C(=O)COc2c1 Show InChI InChI=1S/C26H30N6O3/c1-16(27)31-9-7-20(8-10-31)35-21-5-6-22-24(13-21)34-15-25(33)32(22)14-19-11-17-3-4-18(26(28)29)12-23(17)30(19)2/h3-6,11-13,20,27H,7-10,14-15H2,1-2H3,(H3,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	882	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of factor II				Bioorg Med Chem Lett 13: 561-6 (2003) BindingDB Entry DOI: 10.7270/Q2DB816X
					More data for this Ligand-Target Pair