BDBM33697 2-[[5-(m-toluoylamino)-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester::2-[[5-[[(3-methylphenyl)-oxomethyl]amino]-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester::MLS000327834::SMR000180809::cid_4271676::ethyl 2-({3-[(3-methylbenzoyl)amino]-1H-1,2,4-triazol-5-yl}sulfanyl)acetate::ethyl 2-[[5-[(3-methylbenzoyl)amino]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate::ethyl 2-[[5-[(3-methylphenyl)carbonylamino]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate
SMILES: CCOC(=O)CSc1nnc(NC(=O)c2cccc(C)c2)[nH]1
InChI Key: InChIKey=CSZFJKLNCKEZQL-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Prothrombin (Homo sapiens (Human)) | BDBM33697 (2-[[5-(m-toluoylamino)-1H-1,2,4-triazol-3-yl]thio]...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 586 | 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 | |||||||||||||
Kallikrein 5 (Homo sapiens (Human)) | BDBM33697 (2-[[5-(m-toluoylamino)-1H-1,2,4-triazol-3-yl]thio]...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 630 | 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)) | BDBM33697 (2-[[5-(m-toluoylamino)-1H-1,2,4-triazol-3-yl]thio]...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 965 | 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 |