BDBM32815 1-benzotriazolyl-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methanone::1-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]carbonyl}-1H-1,2,3-benzotriazole::MLS000534987::SMR000142423::benzotriazol-1-yl-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methanone::benzotriazol-1-yl-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone::cid_1326637
SMILES: COc1ccc(cc1)-c1nn(cc1C(=O)n1nnc2ccccc12)-c1ccccc1
InChI Key: InChIKey=YKAFBQRMJLHRNK-UHFFFAOYSA-N
Data: 4 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)) | BDBM32815 (1-benzotriazolyl-[3-(4-methoxyphenyl)-1-phenyl-4-p...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >5.00E+4 | 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 | |||||||||||||
Kallikrein 5 (Homo sapiens (Human)) | BDBM32815 (1-benzotriazolyl-[3-(4-methoxyphenyl)-1-phenyl-4-p...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.00E+3 | 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/Q2GH9GC8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Factor XIIa (Homo sapiens (Human)) | BDBM32815 (1-benzotriazolyl-[3-(4-methoxyphenyl)-1-phenyl-4-p...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >5.00E+4 | 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 | |||||||||||||
Coagulation factor XI (Homo sapiens (Human)) | BDBM32815 (1-benzotriazolyl-[3-(4-methoxyphenyl)-1-phenyl-4-p...) | 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 | 2.76E+3 | 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/Q2H993J6 | |||||||||||
More data for this Ligand-Target Pair |