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SMILES: COc1ccc(cc1)-n1nc(C#N)c2CCN(C3CCN(CC3)N3CCCCC3=O)C(=O)c12

InChI Key: InChIKey=ITIOYIRDUNQHQA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 387056   

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 V/Coagulation factor X/Serine/threonine-protein kinase BRSK2 (Homo sapiens (Human))	BDBM387056 (1-(4-Methoxyphenyl)-7-oxo-6-(2′-oxo-[1,1R...) Show SMILES COc1ccc(cc1)-n1nc(C#N)c2CCN(C3CCN(CC3)N3CCCCC3=O)C(=O)c12 Show InChI InChI=1S/C24H28N6O3/c1-33-19-7-5-18(6-8-19)30-23-20(21(16-25)26-30)11-15-28(24(23)32)17-9-13-27(14-10-17)29-12-3-2-4-22(29)31/h5-8,17H,2-4,9-15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen					Assay Description Prothrombinase Assay:The effect of test compounds on prothrombinase activity is measured via thrombin generation. Briefly, 12.5 μL human factor ...				J Med Chem 51: 1681-94 (2008) BindingDB Entry DOI: 10.7270/Q2F1921P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM387056 (1-(4-Methoxyphenyl)-7-oxo-6-(2′-oxo-[1,1R...) Show SMILES COc1ccc(cc1)-n1nc(C#N)c2CCN(C3CCN(CC3)N3CCCCC3=O)C(=O)c12 Show InChI InChI=1S/C24H28N6O3/c1-33-19-7-5-18(6-8-19)30-23-20(21(16-25)26-30)11-15-28(24(23)32)17-9-13-27(14-10-17)29-12-3-2-4-22(29)31/h5-8,17H,2-4,9-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen					Assay Description Factor Xa (human or rat): In the assay for measuring the inhibition of human or rat factor Xa activity, Tris-HCl buffer (50 mM, pH 8.3, 150 mM NaCl) ...				J Med Chem 51: 1681-94 (2008) BindingDB Entry DOI: 10.7270/Q2F1921P
					More data for this Ligand-Target Pair
Coagulation factor X (Rattus norvegicus (rat))	BDBM387056 (1-(4-Methoxyphenyl)-7-oxo-6-(2′-oxo-[1,1R...) Show SMILES COc1ccc(cc1)-n1nc(C#N)c2CCN(C3CCN(CC3)N3CCCCC3=O)C(=O)c12 Show InChI InChI=1S/C24H28N6O3/c1-33-19-7-5-18(6-8-19)30-23-20(21(16-25)26-30)11-15-28(24(23)32)17-9-13-27(14-10-17)29-12-3-2-4-22(29)31/h5-8,17H,2-4,9-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen					Assay Description Factor Xa (human or rat): In the assay for measuring the inhibition of human or rat factor Xa activity, Tris-HCl buffer (50 mM, pH 8.3, 150 mM NaCl) ...				J Med Chem 51: 1681-94 (2008) BindingDB Entry DOI: 10.7270/Q2F1921P
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM387056 (1-(4-Methoxyphenyl)-7-oxo-6-(2′-oxo-[1,1R...) Show SMILES COc1ccc(cc1)-n1nc(C#N)c2CCN(C3CCN(CC3)N3CCCCC3=O)C(=O)c12 Show InChI InChI=1S/C24H28N6O3/c1-33-19-7-5-18(6-8-19)30-23-20(21(16-25)26-30)11-15-28(24(23)32)17-9-13-27(14-10-17)29-12-3-2-4-22(29)31/h5-8,17H,2-4,9-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen					Assay Description Trypsin: In the assay for measuring the inhibition of human trypsin activity buffer (50 mM Tris, pH 8.2, and 20 mM CaCl2) is used. The IC50 is measur...				J Med Chem 51: 1681-94 (2008) BindingDB Entry DOI: 10.7270/Q2F1921P
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM387056 (1-(4-Methoxyphenyl)-7-oxo-6-(2′-oxo-[1,1R...) Show SMILES COc1ccc(cc1)-n1nc(C#N)c2CCN(C3CCN(CC3)N3CCCCC3=O)C(=O)c12 Show InChI InChI=1S/C24H28N6O3/c1-33-19-7-5-18(6-8-19)30-23-20(21(16-25)26-30)11-15-28(24(23)32)17-9-13-27(14-10-17)29-12-3-2-4-22(29)31/h5-8,17H,2-4,9-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen					Assay Description Thrombin: In the assay for measuring the inhibition of human thrombin activity buffer (10 mM HEPES buffer, pH 7.4, 2 mM CaCl2) is used. The IC50 is m...				J Med Chem 51: 1681-94 (2008) BindingDB Entry DOI: 10.7270/Q2F1921P
					More data for this Ligand-Target Pair