BDBM89199 MLS001224314::N-[(E)-[1-(3-fluorobenzyl)indol-3-yl]methyleneamino]-3,5-dihydroxy-benzamide::N-[(E)-[1-[(3-fluorophenyl)methyl]-3-indolyl]methylideneamino]-3,5-dihydroxybenzamide::N-[(E)-[1-[(3-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3,5-bis(oxidanyl)benzamide::N-[(E)-[1-[(3-fluorophenyl)methyl]indol-3-yl]methylideneamino]-3,5-dihydroxybenzamide::SMR000678827::cid_56642873
SMILES: Oc1cc(O)cc(c1)C(=O)N\N=C\c1cn(Cc2cccc(F)c2)c2ccccc12
InChI Key: InChIKey=WVVKNKDBZMZCCR-BRJLIKDPSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human)) | BDBM89199 (MLS001224314 | N-[(E)-[1-(3-fluorobenzyl)indol-3-y...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
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 (2012) BindingDB Entry DOI: 10.7270/Q2NC5ZRN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
T cell receptor alpha variable 4 (Homo sapiens (Human)) | BDBM89199 (MLS001224314 | N-[(E)-[1-(3-fluorobenzyl)indol-3-y...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >9.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2WQ02FK | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Albumin (Bos taurus) | BDBM89199 (MLS001224314 | N-[(E)-[1-(3-fluorobenzyl)indol-3-y...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >9.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2RX99Q9 | ||||||||||||
More data for this Ligand-Target Pair |