BDBM43841 (E)-3-[2-[N-acetyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]prop-2-enoic acid::(E)-3-[2-[N-acetyl-3-(trifluoromethyl)anilino]-4-thiazolyl]-2-propenoic acid::(E)-3-[2-[N-acetyl-3-(trifluoromethyl)anilino]thiazol-4-yl]acrylic acid::(E)-3-[2-[ethanoyl-[3-(trifluoromethyl)phenyl]amino]-1,3-thiazol-4-yl]prop-2-enoic acid::Acid, 23::MLS000773851::SMR000364678::cid_2513489
SMILES: CC(=O)N(c1nc(\C=C\C(O)=O)cs1)c1cccc(c1)C(F)(F)F
InChI Key: InChIKey=XMCXTGRBAIZQCC-AATRIKPKSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human)) | BDBM43841 ((E)-3-[2-[N-acetyl-3-(trifluoromethyl)anilino]-1,3...) | 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 | 5.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2QN6558 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 protease (Human immunodeficiency virus) | BDBM43841 ((E)-3-[2-[N-acetyl-3-(trifluoromethyl)anilino]-1,3...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >50 | n/a | n/a | n/a | n/a | 5.6 | 37 |
The Scripps Research Institute | Assay Description Inhibition of HIV-protease activity for selected acids at P3-P3' positions. | Chem Biol 9: 891-6 (2002) Article DOI: 10.1016/S1074-5521(02)00184-9 BindingDB Entry DOI: 10.7270/Q2GM85QP | |||||||||||
More data for this Ligand-Target Pair |