BDBM50135943 2-(2-Aminomethyl-4-methoxy-phenyl)-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid (3-fluoro-2'-methanesulfonyl-biphenyl-4-yl)-amide::CHEMBL148718
SMILES: COc1ccc(c(CN)c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O)C(F)(F)F
InChI Key: InChIKey=ZRSHJWAZRVCTQW-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Coagulation factor X (Homo sapiens (Human)) | BDBM50135943 (2-(2-Aminomethyl-4-methoxy-phenyl)-5-trifluorometh...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Tested in vitro for inhibition of human Coagulation factor X | J Med Chem 46: 5298-315 (2003) Article DOI: 10.1021/jm030212h BindingDB Entry DOI: 10.7270/Q2ZW1MP2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50135943 (2-(2-Aminomethyl-4-methoxy-phenyl)-5-trifluorometh...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Tested in vitro for inhibition of human trypsin | J Med Chem 46: 5298-315 (2003) Article DOI: 10.1021/jm030212h BindingDB Entry DOI: 10.7270/Q2ZW1MP2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50135943 (2-(2-Aminomethyl-4-methoxy-phenyl)-5-trifluorometh...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute Curated by ChEMBL | Assay Description In vitro for inhibition of human thrombin | J Med Chem 46: 5298-315 (2003) Article DOI: 10.1021/jm030212h BindingDB Entry DOI: 10.7270/Q2ZW1MP2 | |||||||||||
More data for this Ligand-Target Pair |