BDBM50124975 2-[4-(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonyl)-2-oxo-piperazin-1-yl]-N-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide::CHEMBL423810
SMILES: Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)N1CCN(CC(=O)NC(CCCNC(N)=N)C(=O)c2nccs2)C(=O)C1
InChI Key: InChIKey=MNVVFWIYSOOEQC-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Coagulation factor X (Homo sapiens (Human)) | BDBM50124975 (2-[4-(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfon...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals Inc. Curated by ChEMBL | Assay Description In vitro binding affinity towards factor Xa | Bioorg Med Chem Lett 13: 723-8 (2003) BindingDB Entry DOI: 10.7270/Q2Z037JH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50124975 (2-[4-(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfon...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals Inc. Curated by ChEMBL | Assay Description In vitro inhibitory activity against factor Xa | Bioorg Med Chem Lett 13: 723-8 (2003) BindingDB Entry DOI: 10.7270/Q2Z037JH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tissue-type plasminogen activator (Homo sapiens (Human)) | BDBM50124975 (2-[4-(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfon...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 9.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Inhibitory activity against tissue plasminogen activator (tissue plasminogen activator) | Bioorg Med Chem Lett 13: 723-8 (2003) BindingDB Entry DOI: 10.7270/Q2Z037JH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasminogen (Homo sapiens (Human)) | BDBM50124975 (2-[4-(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfon...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Inhibitory activity against Plasmin | Bioorg Med Chem Lett 13: 723-8 (2003) BindingDB Entry DOI: 10.7270/Q2Z037JH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vitamin K-dependent protein C (Homo sapiens (Human)) | BDBM50124975 (2-[4-(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfon...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 1.69E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Inhibitory activity against activated protein C (aPC) | Bioorg Med Chem Lett 13: 723-8 (2003) BindingDB Entry DOI: 10.7270/Q2Z037JH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50124975 (2-[4-(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfon...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 751 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals Inc. Curated by ChEMBL | Assay Description In vitro inhibitory activity against serine protease thrombin | Bioorg Med Chem Lett 13: 723-8 (2003) BindingDB Entry DOI: 10.7270/Q2Z037JH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50124975 (2-[4-(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfon...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Inhibitory activity against Trypsin | Bioorg Med Chem Lett 13: 723-8 (2003) BindingDB Entry DOI: 10.7270/Q2Z037JH | |||||||||||
More data for this Ligand-Target Pair |