BDBM71178 4-(3-Benzotriazol-1-yl-1,4-dioxo-1,4-dihydro-naphthalen-2-ylamino)-benzoic acid::4-[[3-(1-benzotriazolyl)-1,4-dioxo-2-naphthalenyl]amino]benzoic acid::4-[[3-(benzotriazol-1-yl)-1,4-bis(oxidanylidene)naphthalen-2-yl]amino]benzoic acid::4-[[3-(benzotriazol-1-yl)-1,4-diketo-2-naphthyl]amino]benzoic acid::4-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-yl]amino]benzoic acid::MLS000778447::SMR000415241::cid_1397082
SMILES: OC(=O)c1ccc(NC2=C(C(=O)c3ccccc3C2=O)n2nnc3ccccc23)cc1
InChI Key: InChIKey=MXEWFUONLMVUJE-UHFFFAOYSA-N
Data: 5 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Caspase-9 (Homo sapiens (Human)) | BDBM71178 (4-(3-Benzotriazol-1-yl-1,4-dioxo-1,4-dihydro-napht...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 7.25E+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 (SBIMR, San Diego, C... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q25M647F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Apoptotic peptidase activating factor 1 (Homo sapiens (Human)) | BDBM71178 (4-(3-Benzotriazol-1-yl-1,4-dioxo-1,4-dihydro-napht...) | 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 | 7.80E+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 (SBIMR, San Diego, C... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2JS9NZB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human)) | BDBM71178 (4-(3-Benzotriazol-1-yl-1,4-dioxo-1,4-dihydro-napht...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2WS8RXV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MSRA protein (Bos taurus) | BDBM71178 (4-(3-Benzotriazol-1-yl-1,4-dioxo-1,4-dihydro-napht...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.16E+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/Q2639NCQ | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Apoptotic peptidase activating factor 1 (Homo sapiens (Human)) | BDBM71178 (4-(3-Benzotriazol-1-yl-1,4-dioxo-1,4-dihydro-napht...) | 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 | >1.00E+5 | 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 (SBIMR, San Diego, C... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2F18X8S | |||||||||||
More data for this Ligand-Target Pair |