BDBM32672 MLS000097371::N-[4-(1H-1,2,3-benzotriazol-1-ylcarbonyl)phenyl]butanamide::N-[4-(benzotriazol-1-ylcarbonyl)phenyl]butanamide::N-[4-(benzotriazole-1-carbonyl)phenyl]butanamide::N-[4-(benzotriazole-1-carbonyl)phenyl]butyramide::N-[4-[1-benzotriazolyl(oxo)methyl]phenyl]butanamide::SMR000076008::cid_2201551
SMILES: CCCC(=O)Nc1ccc(cc1)C(=O)n1nnc2ccccc12
InChI Key: InChIKey=VUWARVVMIAAMOY-UHFFFAOYSA-N
Data: 8 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)) | BDBM32672 (MLS000097371 | N-[4-(1H-1,2,3-benzotriazol-1-ylcar...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 7.10E+3 | 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)) | BDBM32672 (MLS000097371 | N-[4-(1H-1,2,3-benzotriazol-1-ylcar...) | 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 | 248 | 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 | |||||||||||||
Coagulation factor XI (Homo sapiens (Human)) | BDBM32672 (MLS000097371 | N-[4-(1H-1,2,3-benzotriazol-1-ylcar...) | 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 | 248 | 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 | |||||||||||||
Factor XIIa (Homo sapiens (Human)) | BDBM32672 (MLS000097371 | N-[4-(1H-1,2,3-benzotriazol-1-ylcar...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 7.10E+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/Q21G0JQS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Complement C1s (Homo sapiens (Human)) | BDBM32672 (MLS000097371 | N-[4-(1H-1,2,3-benzotriazol-1-ylcar...) | 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 | >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 Pennsyl... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q20000GW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin G (Homo sapiens (Human)) | BDBM32672 (MLS000097371 | N-[4-(1H-1,2,3-benzotriazol-1-ylcar...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 923 | n/a | n/a | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2QF8R8B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor XI (Homo sapiens (Human)) | BDBM32672 (MLS000097371 | N-[4-(1H-1,2,3-benzotriazol-1-ylcar...) | 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 | 248 | 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 | |||||||||||||
Complement C1s (Homo sapiens (Human)) | BDBM32672 (MLS000097371 | N-[4-(1H-1,2,3-benzotriazol-1-ylcar...) | 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 | 380 | 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: Dr. Scott L. Diamond, University of Pen... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2MP51PC | |||||||||||
More data for this Ligand-Target Pair |