BDBM50079222 CHEMBL327213::{3-(3-Carbamimidoyl-phenyl)-5-[5-(2-sulfamoyl-phenyl)-pyrimidin-2-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)Nc1ncc(cn1)-c1ccccc1S(N)(=O)=O
InChI Key: InChIKey=LAUGVCLUYPMNEP-UHFFFAOYSA-N
Data: 15 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 (Homo sapiens (Human)) | BDBM50079222 (CHEMBL327213 | {3-(3-Carbamimidoyl-phenyl)-5-[5-(2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.30 | 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)) | BDBM50079222 (CHEMBL327213 | {3-(3-Carbamimidoyl-phenyl)-5-[5-(2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 12 | 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)) | BDBM50079222 (CHEMBL327213 | {3-(3-Carbamimidoyl-phenyl)-5-[5-(2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 12 | 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)) | BDBM50079222 (CHEMBL327213 | {3-(3-Carbamimidoyl-phenyl)-5-[5-(2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 12 | 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)) | BDBM50079222 (CHEMBL327213 | {3-(3-Carbamimidoyl-phenyl)-5-[5-(2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 12 | 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)) | BDBM50079222 (CHEMBL327213 | {3-(3-Carbamimidoyl-phenyl)-5-[5-(2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 170 | 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)) | BDBM50079222 (CHEMBL327213 | {3-(3-Carbamimidoyl-phenyl)-5-[5-(2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 330 | 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)) | BDBM50079222 (CHEMBL327213 | {3-(3-Carbamimidoyl-phenyl)-5-[5-(2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 330 | 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)) | BDBM50079222 (CHEMBL327213 | {3-(3-Carbamimidoyl-phenyl)-5-[5-(2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 336 | 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)) | BDBM50079222 (CHEMBL327213 | {3-(3-Carbamimidoyl-phenyl)-5-[5-(2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 710 | 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)) | BDBM50079222 (CHEMBL327213 | {3-(3-Carbamimidoyl-phenyl)-5-[5-(2...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.90E+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)) | BDBM50079222 (CHEMBL327213 | {3-(3-Carbamimidoyl-phenyl)-5-[5-(2...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.20E+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 | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50079222 (CHEMBL327213 | {3-(3-Carbamimidoyl-phenyl)-5-[5-(2...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.40E+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 | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50079222 (CHEMBL327213 | {3-(3-Carbamimidoyl-phenyl)-5-[5-(2...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.40E+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 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)) | BDBM50079222 (CHEMBL327213 | {3-(3-Carbamimidoyl-phenyl)-5-[5-(2...) | 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 |