BDBM238258 US10882855, Example 69::US9394250, 69::US9585881, Example 69

SMILES: COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@@H]1C[C@@H](CN1C(=O)C1CCN(CC1)C(N)=N)C1CCN(CC1)S(C)(=O)=O

InChI Key:

Data: 9 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 238258   

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 XI (Homo sapiens (Human))	BDBM238258 (US10882855, Example 69 | US9394250, 69 | US9585881...) Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@@H]1C[C@@H](CN1C(=O)C1CCN(CC1)C(N)=N)C1CCN(CC1)S(C)(=O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description Human Factor XIa (Haematologic Technologies Inc.) activity was measured at an enzyme concentration of 0.1 U/mL in 150 mM NaCl, 5 mM KCl, 1 mg/mL PEG6...				US Patent US9394250 (2016) BindingDB Entry DOI: 10.7270/Q2222SP5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM238258 (US10882855, Example 69 | US9394250, 69 | US9585881...) Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@@H]1C[C@@H](CN1C(=O)C1CCN(CC1)C(N)=N)C1CCN(CC1)S(C)(=O)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description Human Factor Xa (American Diagnostica Inc.) and human thrombin (Sigma) activities were measured at the enzyme concentrations of 0.18 U/mL and 0.12 U/...				US Patent US9394250 (2016) BindingDB Entry DOI: 10.7270/Q2222SP5
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM238258 (US10882855, Example 69 | US9394250, 69 | US9585881...) Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@@H]1C[C@@H](CN1C(=O)C1CCN(CC1)C(N)=N)C1CCN(CC1)S(C)(=O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description Human Factor Xa (American Diagnostica Inc.) and human thrombin (Sigma) activities were measured at the enzyme concentrations of 0.18 U/mL and 0.12 U/...				US Patent US9394250 (2016) BindingDB Entry DOI: 10.7270/Q2222SP5
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM238258 (US10882855, Example 69 | US9394250, 69 | US9585881...) Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@@H]1C[C@@H](CN1C(=O)C1CCN(CC1)C(N)=N)C1CCN(CC1)S(C)(=O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description Human Factor XIa (Haematologic Technologies Inc.) activity was measured at an enzyme concentration of 0.1 U/mL in 150 mM NaCl, 5 mM KCl, 1 mg/mL PEG6...				US Patent US9585881 (2017) BindingDB Entry DOI: 10.7270/Q2D50Q0R
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM238258 (US10882855, Example 69 | US9394250, 69 | US9585881...) Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@@H]1C[C@@H](CN1C(=O)C1CCN(CC1)C(N)=N)C1CCN(CC1)S(C)(=O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description Human Factor Xa (American Diagnostica Inc.) and human thrombin (Sigma) activities were measured at the enzyme concentrations of 0.18 U/mL and 0.12 U/...				US Patent US10882855 (2021)
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM238258 (US10882855, Example 69 | US9394250, 69 | US9585881...) Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@@H]1C[C@@H](CN1C(=O)C1CCN(CC1)C(N)=N)C1CCN(CC1)S(C)(=O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description Human Factor Xa (American Diagnostica Inc.) and human thrombin (Sigma) activities were measured at the enzyme concentrations of 0.18 U/mL and 0.12 U/...				US Patent US9585881 (2017) BindingDB Entry DOI: 10.7270/Q2D50Q0R
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM238258 (US10882855, Example 69 | US9394250, 69 | US9585881...) Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@@H]1C[C@@H](CN1C(=O)C1CCN(CC1)C(N)=N)C1CCN(CC1)S(C)(=O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description Human Factor XIa (Haematologic Technologies Inc.) activity was measured at an enzyme concentration of 0.1 U/mL in 150 mM NaCl, 5 mM KCl, 1 mg/mL PEG6...				US Patent US10882855 (2021)
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM238258 (US10882855, Example 69 | US9394250, 69 | US9585881...) Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@@H]1C[C@@H](CN1C(=O)C1CCN(CC1)C(N)=N)C1CCN(CC1)S(C)(=O)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description Human Factor Xa (American Diagnostica Inc.) and human thrombin (Sigma) activities were measured at the enzyme concentrations of 0.18 U/mL and 0.12 U/...				US Patent US10882855 (2021)
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM238258 (US10882855, Example 69 | US9394250, 69 | US9585881...) Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@@H]1C[C@@H](CN1C(=O)C1CCN(CC1)C(N)=N)C1CCN(CC1)S(C)(=O)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description Human Factor Xa (American Diagnostica Inc.) and human thrombin (Sigma) activities were measured at the enzyme concentrations of 0.18 U/mL and 0.12 U/...				US Patent US9585881 (2017) BindingDB Entry DOI: 10.7270/Q2D50Q0R
					More data for this Ligand-Target Pair