BDBM50041220 1,2-bis(5-amidinobenzofuran-2-yl)ethane::2-(2-{5-[(E)-amino(imino)methyl]-1-benzofuran-2-yl}ethyl)-1-benzofuran-5-carboximidamide::2-(2-{5-[(Z)-amino(imino)methyl]-1-benzofuran-2-yl}ethyl)-1-benzofuran-5-carboximidamide::2-{2-[5-amino(imino)methylbenzo[b]furan-2-yl]ethyl}benzo[b]furan-5-yl-iminomethanamine::CHEMBL279962
SMILES: NC(=N)c1ccc2oc(CCc3cc4cc(ccc4o3)C(N)=N)cc2c1
InChI Key: InChIKey=YMOFSDWBUFAIRB-UHFFFAOYSA-N
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 |
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Coagulation factor X (Bos taurus) | BDBM50041220 (1,2-bis(5-amidinobenzofuran-2-yl)ethane | 2-(2-{5-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Inhibition of bovine factor 10a | J Med Chem 53: 6243-74 (2010) Article DOI: 10.1021/jm100146h BindingDB Entry DOI: 10.7270/Q2CR5VBB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thrombin (Bos taurus (Bovine)) | BDBM50041220 (1,2-bis(5-amidinobenzofuran-2-yl)ethane | 2-(2-{5-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 4.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Competitive reversible inhibition of bovine thrombin using alpha-N-benzoyl-DL-arginine-p-nitroanilide hydrochloride as substrate after 15 to 40 mins ... | J Med Chem 21: 613-23 (1978) BindingDB Entry DOI: 10.7270/Q23B61PN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glandular kallikrein (Sus scrofa) | BDBM50041220 (1,2-bis(5-amidinobenzofuran-2-yl)ethane | 2-(2-{5-...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 9.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Competitive reversible inhibition of porcine pancreatic kallikrein using alpha-N-benzoyl-DL-arginine-p-nitroanilide hydrochloride as substrate after ... | J Med Chem 21: 613-23 (1978) BindingDB Entry DOI: 10.7270/Q23B61PN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Bos taurus) | BDBM50041220 (1,2-bis(5-amidinobenzofuran-2-yl)ethane | 2-(2-{5-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | 5.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description The compound was evaluated for inhibitory activity against bovine Factor Xa | Bioorg Med Chem Lett 7: 2813-2818 (1997) Article DOI: 10.1016/S0960-894X(97)10081-6 BindingDB Entry DOI: 10.7270/Q2X63MZ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50041220 (1,2-bis(5-amidinobenzofuran-2-yl)ethane | 2-(2-{5-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL | Assay Description In vitro evaluation for the concentration needed for inhibiting thrombin by 50% | J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50041220 (1,2-bis(5-amidinobenzofuran-2-yl)ethane | 2-(2-{5-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL | Assay Description In vitro evaluation for the concentration needed for inhibiting factor Xa by 50% | J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6 | |||||||||||
More data for this Ligand-Target Pair |