null
SMILES: OCCn1c(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc2cnccc12
InChI Key: InChIKey=NZNFLUOJACWZKX-UHFFFAOYSA-N
PDB links: 1 PDB ID matches this monomer.
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)) | BDBM12595 (4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 3 | -11.5 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Aventis Pharma | Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su... | J Med Chem 46: 685-90 (2003) Article DOI: 10.1021/jm0203837 BindingDB Entry DOI: 10.7270/Q2VH5M2S | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM12595 (4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity (in vitro) of the compound towards human Coagulation factor X was determined at 10 mg/kg peroral dose | J Med Chem 46: 681-4 (2003) Article DOI: 10.1021/jm020384z BindingDB Entry DOI: 10.7270/Q2KW5FDH | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Serine protease 1 (Bos taurus (bovine)) | BDBM12595 (4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >2.90E+3 | >-7.47 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Aventis Pharma | Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su... | J Med Chem 46: 685-90 (2003) Article DOI: 10.1021/jm0203837 BindingDB Entry DOI: 10.7270/Q2VH5M2S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine protease 1 (Homo sapiens (Human)) | BDBM12595 (4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity towards trypsin | J Med Chem 46: 681-4 (2003) Article DOI: 10.1021/jm020384z BindingDB Entry DOI: 10.7270/Q2KW5FDH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM12595 (4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity towards thrombin | J Med Chem 46: 681-4 (2003) Article DOI: 10.1021/jm020384z BindingDB Entry DOI: 10.7270/Q2KW5FDH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM12595 (4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >4.00E+3 | >-7.28 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Aventis Pharma | Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su... | J Med Chem 46: 685-90 (2003) Article DOI: 10.1021/jm0203837 BindingDB Entry DOI: 10.7270/Q2VH5M2S | |||||||||||
More data for this Ligand-Target Pair |