BDBM32896 MLS000679754::N-(2-butyl-1,2,3,4-tetrazol-5-yl)-N-thiophen-2-ylcarbonyl-thiophene-2-carboxamide::N-(2-butyl-2H-tetrazol-5-yl)-N-(2-thienylcarbonyl)-2-thiophenecarboxamide::N-(2-butyl-5-tetrazolyl)-N-[oxo(thiophen-2-yl)methyl]-2-thiophenecarboxamide::N-(2-butyltetrazol-5-yl)-N-(2-thenoyl)thiophene-2-carboxamide::N-(2-butyltetrazol-5-yl)-N-(thiophene-2-carbonyl)thiophene-2-carboxamide::SMR000296997::cid_1828813
SMILES: CCCCn1nnc(n1)N(C(=O)c1cccs1)C(=O)c1cccs1
InChI Key: InChIKey=KGSRYOUTAFUTIJ-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)) | BDBM32896 (MLS000679754 | N-(2-butyl-1,2,3,4-tetrazol-5-yl)-N...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 880 | 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 | |||||||||||||
Factor XIIa (Homo sapiens (Human)) | BDBM32896 (MLS000679754 | N-(2-butyl-1,2,3,4-tetrazol-5-yl)-N...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 650 | 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)) | BDBM32896 (MLS000679754 | N-(2-butyl-1,2,3,4-tetrazol-5-yl)-N...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 112 | 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 |