BDBM50072445 CHEMBL139063::CHEMBL279628::[3-(3-Carbamimidoyl-phenyl)-5-(2'-sulfamoyl-biphenyl-4-ylcarbamoyl)-4,5-dihydro-isoxazol-5-yl]-acetic acid methyl ester; TFA
SMILES: COC(=O)CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
InChI Key: InChIKey=QMEXGOMLMAXBEB-UHFFFAOYSA-N
Data: 19 KI
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 (Oryctolagus cuniculus) | BDBM50072445 (CHEMBL139063 | CHEMBL279628 | [3-(3-Carbamimidoyl-...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company Curated by ChEMBL | Assay Description Inhibition of serine protease factor Xa enzyme. | Bioorg Med Chem Lett 8: 3143-8 (1999) BindingDB Entry DOI: 10.7270/Q2X0666F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50072445 (CHEMBL139063 | CHEMBL279628 | [3-(3-Carbamimidoyl-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.30 | 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 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 | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50072445 (CHEMBL139063 | CHEMBL279628 | [3-(3-Carbamimidoyl-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company Curated by ChEMBL | Assay Description Binding affinity towards human purified Coagulation factor Xa (FXa) | J Med Chem 42: 2760-73 (1999) Article DOI: 10.1021/jm980406a BindingDB Entry DOI: 10.7270/Q28W3CHG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50072445 (CHEMBL139063 | CHEMBL279628 | [3-(3-Carbamimidoyl-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company Curated by ChEMBL | Assay Description Binding affinity to purified human coagulation factor Xa (FXa) | J Med Chem 42: 2752-9 (1999) Article DOI: 10.1021/jm980405i BindingDB Entry DOI: 10.7270/Q28P616C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50072445 (CHEMBL139063 | CHEMBL279628 | [3-(3-Carbamimidoyl-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company Curated by ChEMBL | Assay Description Binding affinity to purified human coagulation factor Xa (FXa) | J Med Chem 42: 2752-9 (1999) Article DOI: 10.1021/jm980405i BindingDB Entry DOI: 10.7270/Q28P616C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50072445 (CHEMBL139063 | CHEMBL279628 | [3-(3-Carbamimidoyl-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company Curated by ChEMBL | Assay Description Binding affinity against human coagulation factor X | J Med Chem 43: 4398-415 (2000) BindingDB Entry DOI: 10.7270/Q2JS9PP5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50072445 (CHEMBL139063 | CHEMBL279628 | [3-(3-Carbamimidoyl-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company Curated by ChEMBL | Assay Description Binding affinity to purified human coagulation factor Xa (FXa) | J Med Chem 42: 2752-9 (1999) Article DOI: 10.1021/jm980405i BindingDB Entry DOI: 10.7270/Q28P616C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50072445 (CHEMBL139063 | CHEMBL279628 | [3-(3-Carbamimidoyl-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company Curated by ChEMBL | Assay Description Binding affinity against Coagulation factor X in an enzyme inhibition assay. | Bioorg Med Chem Lett 9: 1195-200 (1999) BindingDB Entry DOI: 10.7270/Q20V8BZZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50072445 (CHEMBL139063 | CHEMBL279628 | [3-(3-Carbamimidoyl-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company Curated by ChEMBL | Assay Description Binding affinity to purified human coagulation factor Xa (FXa) | J Med Chem 42: 2752-9 (1999) Article DOI: 10.1021/jm980405i BindingDB Entry DOI: 10.7270/Q28P616C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50072445 (CHEMBL139063 | CHEMBL279628 | [3-(3-Carbamimidoyl-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company Curated by ChEMBL | Assay Description The binding affinity was measured towards human purified trypsin | J Med Chem 42: 2752-9 (1999) Article DOI: 10.1021/jm980405i BindingDB Entry DOI: 10.7270/Q28P616C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50072445 (CHEMBL139063 | CHEMBL279628 | [3-(3-Carbamimidoyl-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company Curated by ChEMBL | Assay Description Binding affinity towards trypsin obtained from human purified enzymes | J Med Chem 42: 2760-73 (1999) Article DOI: 10.1021/jm980406a BindingDB Entry DOI: 10.7270/Q28W3CHG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50072445 (CHEMBL139063 | CHEMBL279628 | [3-(3-Carbamimidoyl-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company Curated by ChEMBL | Assay Description The binding affinity was measured towards human purified trypsin | J Med Chem 42: 2752-9 (1999) Article DOI: 10.1021/jm980405i BindingDB Entry DOI: 10.7270/Q28P616C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50072445 (CHEMBL139063 | CHEMBL279628 | [3-(3-Carbamimidoyl-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 121 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company Curated by ChEMBL | Assay Description The binding affinity was measured towards human purified trypsin | J Med Chem 42: 2752-9 (1999) Article DOI: 10.1021/jm980405i BindingDB Entry DOI: 10.7270/Q28P616C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50072445 (CHEMBL139063 | CHEMBL279628 | [3-(3-Carbamimidoyl-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company Curated by ChEMBL | Assay Description The binding affinity was measured towards human purified trypsin | J Med Chem 42: 2752-9 (1999) Article DOI: 10.1021/jm980405i BindingDB Entry DOI: 10.7270/Q28P616C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50072445 (CHEMBL139063 | CHEMBL279628 | [3-(3-Carbamimidoyl-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company Curated by ChEMBL | Assay Description The binding affinity towards thrombin obtained from human purified enzymes. | J Med Chem 42: 2752-9 (1999) Article DOI: 10.1021/jm980405i BindingDB Entry DOI: 10.7270/Q28P616C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50072445 (CHEMBL139063 | CHEMBL279628 | [3-(3-Carbamimidoyl-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company Curated by ChEMBL | Assay Description The binding affinity towards thrombin obtained from human purified enzymes. | J Med Chem 42: 2752-9 (1999) Article DOI: 10.1021/jm980405i BindingDB Entry DOI: 10.7270/Q28P616C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50072445 (CHEMBL139063 | CHEMBL279628 | [3-(3-Carbamimidoyl-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company Curated by ChEMBL | Assay Description The binding affinity towards thrombin obtained from human purified enzymes. | J Med Chem 42: 2752-9 (1999) Article DOI: 10.1021/jm980405i BindingDB Entry DOI: 10.7270/Q28P616C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50072445 (CHEMBL139063 | CHEMBL279628 | [3-(3-Carbamimidoyl-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company Curated by ChEMBL | Assay Description Binding affinity towards thrombin obtained from human purified enzymes | J Med Chem 42: 2760-73 (1999) Article DOI: 10.1021/jm980406a BindingDB Entry DOI: 10.7270/Q28W3CHG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50072445 (CHEMBL139063 | CHEMBL279628 | [3-(3-Carbamimidoyl-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company Curated by ChEMBL | Assay Description The binding affinity towards thrombin obtained from human purified enzymes. | J Med Chem 42: 2752-9 (1999) Article DOI: 10.1021/jm980405i BindingDB Entry DOI: 10.7270/Q28P616C | |||||||||||
More data for this Ligand-Target Pair |