BDBM32674 1-benzotriazolyl-(1-phenyl-3-pyridin-4-yl-4-pyrazolyl)methanone::1-{[1-phenyl-3-(4-pyridinyl)-1H-pyrazol-4-yl]carbonyl}-1H-1,2,3-benzotriazole::MLS000049336::SMR000075218::benzotriazol-1-yl-(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)methanone::benzotriazol-1-yl-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methanone::benzotriazol-1-yl-[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]methanone::cid_1307930
SMILES: O=C(c1cn(nc1-c1ccncc1)-c1ccccc1)n1nnc2ccccc12
InChI Key: InChIKey=XKJPYUYSROHYIL-UHFFFAOYSA-N
Data: 3 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)) | BDBM32674 (1-benzotriazolyl-(1-phenyl-3-pyridin-4-yl-4-pyrazo...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 973 | n/a | n/a | n/a | n/a | 7.4 | 23 |
PCMD Curated by PubChem BioAssay | Assay Description HTS was performed on a total of 33,068 compounds of the MLSCN library, 23,017 of which were not in the mixture HTS plates used previously. These comp... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2PV6HQB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor XI (Homo sapiens (Human)) | BDBM32674 (1-benzotriazolyl-(1-phenyl-3-pyridin-4-yl-4-pyrazo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 707 | 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/Q2W957K6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor XI (Homo sapiens (Human)) | BDBM32674 (1-benzotriazolyl-(1-phenyl-3-pyridin-4-yl-4-pyrazo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 707 | n/a | n/a | n/a | n/a | 7.4 | 23 |
PCMD Curated by PubChem BioAssay | Assay Description Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2N29V8J | |||||||||||
More data for this Ligand-Target Pair |