BDBM50147478 CHEMBL109217::N-(2-Amino-4,5,6,7-tetrahydro-benzothiazol-6-yl)-2-[6-methyl-2-oxo-3-(3-trifluoromethyl-phenylmethanesulfonylamino)-2H-pyridin-1-yl]-acetamide
SMILES: Cc1ccc(NS(=O)(=O)Cc2cccc(c2)C(F)(F)F)c(=O)n1CC(=O)NC1CCc2nc(N)sc2C1
InChI Key: InChIKey=VTYFRTLPEJNIRF-UHFFFAOYSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Prothrombin (Homo sapiens (Human)) | BDBM50147478 (CHEMBL109217 | N-(2-Amino-4,5,6,7-tetrahydro-benzo...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 652 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana Curated by ChEMBL | Assay Description In vitro inhibition of human thrombin. | Bioorg Med Chem Lett 14: 3251-6 (2004) Article DOI: 10.1016/j.bmcl.2004.03.085 BindingDB Entry DOI: 10.7270/Q2RN3792 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50147478 (CHEMBL109217 | N-(2-Amino-4,5,6,7-tetrahydro-benzo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 8.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana Curated by ChEMBL | Assay Description In vitro inhibition of Coagulation factor Xa. | Bioorg Med Chem Lett 14: 3251-6 (2004) Article DOI: 10.1016/j.bmcl.2004.03.085 BindingDB Entry DOI: 10.7270/Q2RN3792 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin II (Bos taurus) | BDBM50147478 (CHEMBL109217 | N-(2-Amino-4,5,6,7-tetrahydro-benzo...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana Curated by ChEMBL | Assay Description In vitro inhibition of bovine trypsin. | Bioorg Med Chem Lett 14: 3251-6 (2004) Article DOI: 10.1016/j.bmcl.2004.03.085 BindingDB Entry DOI: 10.7270/Q2RN3792 | |||||||||||
More data for this Ligand-Target Pair |