BDBM51858 MLS000562887::SMR000391146::YW-IW::cid_16196440
SMILES: Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
InChI Key: InChIKey=JEBBKFZFDCLKSN-ZWQLSXJHSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mitogen-activated protein kinase kinase kinase kinase 2 (Homo sapiens (Human)) | BDBM51858 (MLS000562887 | SMR000391146 | YW-IW | cid_16196440) | MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 3.78E+3 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q25Q4THK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitogen-activated protein kinase kinase kinase kinase 2 (Homo sapiens (Human)) | BDBM51858 (MLS000562887 | SMR000391146 | YW-IW | cid_16196440) | MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.01E+3 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q21Z42TP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human)) | BDBM51858 (MLS000562887 | SMR000391146 | YW-IW | cid_16196440) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 6.27E+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 CA... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2SB4462 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human)) | BDBM51858 (MLS000562887 | SMR000391146 | YW-IW | cid_16196440) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 9.20E+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 CA... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2X34VX0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bfl-1 (Mus musculus (Mouse)) | BDBM51858 (MLS000562887 | SMR000391146 | YW-IW | cid_16196440) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.17E+4 | 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 CA... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q25D8Q92 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
neutrophil cytosolic factor 1 (Homo sapiens (Human)) | BDBM51858 (MLS000562887 | SMR000391146 | YW-IW | cid_16196440) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2M90723 | |||||||||||
More data for this Ligand-Target Pair |