BDBM45603 4-[[(E)-3-(2-furanyl)prop-2-enylidene]amino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione::4-[[(E)-3-(2-furyl)prop-2-enylidene]amino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione::4-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione::4-{[3-(2-furyl)-2-propen-1-ylidene]amino}-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol::MLS000677563::SMR000271734::cid_1600860
SMILES: S=c1[nH]nc(-c2ccncc2)n1N=CC=Cc1ccco1
InChI Key: InChIKey=MUSJFLNMBQBELM-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Factor XIIa (Homo sapiens (Human)) | BDBM45603 (4-[[(E)-3-(2-furanyl)prop-2-enylidene]amino]-3-pyr...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.53E+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 | |||||||||||||
probable DNA dC->dU-editing enzyme APOBEC-3A (Homo sapiens (Human)) | BDBM45603 (4-[[(E)-3-(2-furanyl)prop-2-enylidene]amino]-3-pyr...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.67E+4 | n/a | n/a | n/a | n/a | n/a | 25 |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2CZ35ND | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA dC->dU-editing enzyme APOBEC-3G (Homo sapiens (Human)) | BDBM45603 (4-[[(E)-3-(2-furanyl)prop-2-enylidene]amino]-3-pyr...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.54E+3 | n/a | n/a | n/a | n/a | n/a | 25 |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2HQ3XD6 | |||||||||||
More data for this Ligand-Target Pair |