BDBM33843 (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-fluorophenyl)methanone::(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-fluorophenyl)methanone::1-(4-fluorobenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine::MLS000665897::SMR000294586::[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-(4-fluorophenyl)methanone::[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(4-fluorophenyl)methanone::cid_972160
SMILES: Nc1nc(nn1C(=O)c1ccc(F)cc1)-c1cccnc1
InChI Key: InChIKey=FXRFMCDLHSKARY-UHFFFAOYSA-N
Data: 2 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Factor XIIa (Homo sapiens (Human)) | BDBM33843 ((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-flu...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 80.8 | n/a | n/a | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21G0JQS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM33843 ((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-flu...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.01E+3 | n/a | n/a | n/a | n/a | 7.5 | 23 |
PCMD Curated by PubChem BioAssay | Assay Description HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2K64GDN | |||||||||||
More data for this Ligand-Target Pair |