BDBM42152 MLS000085524::N-[4-(1-isoamylbenzimidazol-2-yl)furazan-3-yl]propionamide::N-[4-[1-(3-methylbutyl)-2-benzimidazolyl]-1,2,5-oxadiazol-3-yl]propanamide::N-[4-[1-(3-methylbutyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide::N-{4-[1-(3-methylbutyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl}propanamide::SMR000020459::cid_1492410
SMILES: CCC(=O)Nc1nonc1-c1nc2ccccc2n1CCC(C)C
InChI Key: InChIKey=WBNVDKYUZBTIEW-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
YopH (Yersinia enterocolitica) | BDBM42152 (MLS000085524 | N-[4-(1-isoamylbenzimidazol-2-yl)fu...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay | Assay Description Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2794330 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
YopH (Yersinia enterocolitica) | BDBM42152 (MLS000085524 | N-[4-(1-isoamylbenzimidazol-2-yl)fu...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay | Assay Description Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2C24TVC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
YopH (Yersinia enterocolitica) | BDBM42152 (MLS000085524 | N-[4-(1-isoamylbenzimidazol-2-yl)fu...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay | Assay Description Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2GT5KKS | |||||||||||
More data for this Ligand-Target Pair |