BDBM50330251 CHEMBL1269012::N5,N5'-Bis(4-ethylphenethyl)-6,6',7,7'-tetrahydroxy-3,3'-dimethyl-1,1',4,4'-tetraoxo-1,1',4,4'-tetrahydro-2,2'-binaphthyl-5,5'-dicarboxamide
SMILES: CCc1ccc(CCNC(=O)c2c(O)c(O)cc3C(=O)C(=C(C)C(=O)c23)C2=C(C)C(=O)c3c(cc(O)c(O)c3C(=O)NCCc3ccc(CC)cc3)C2=O)cc1
InChI Key: InChIKey=UVTWLAHKJHMFIG-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Apoptosis regulator Bcl-2 (Homo sapiens (Human)) | BDBM50330251 (CHEMBL1269012 | N5,N5'-Bis(4-ethylphenethyl)-6,6',...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanford-Burnham Medical Research Institute Curated by ChEMBL | Assay Description Displacement of F-BakBH3 from Bcl-2 after 30 mins by fluorescence polarization assay | J Med Chem 53: 8000-11 (2010) Article DOI: 10.1021/jm100746q BindingDB Entry DOI: 10.7270/Q22N52H7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bcl-2-like protein 1 (Homo sapiens (Human)) | BDBM50330251 (CHEMBL1269012 | N5,N5'-Bis(4-ethylphenethyl)-6,6',...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanford-Burnham Medical Research Institute Curated by ChEMBL | Assay Description Displacement of F-BakBH3 from Bcl-xL after 30 mins by fluorescence polarization assay | J Med Chem 53: 8000-11 (2010) Article DOI: 10.1021/jm100746q BindingDB Entry DOI: 10.7270/Q22N52H7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human)) | BDBM50330251 (CHEMBL1269012 | N5,N5'-Bis(4-ethylphenethyl)-6,6',...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanford-Burnham Medical Research Institute Curated by ChEMBL | Assay Description Displacement of F-BakBH3 from Mcl-1 after 30 mins by fluorescence polarization assay | J Med Chem 53: 8000-11 (2010) Article DOI: 10.1021/jm100746q BindingDB Entry DOI: 10.7270/Q22N52H7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bcl-2-related protein A1 (Homo sapiens (Human)) | BDBM50330251 (CHEMBL1269012 | N5,N5'-Bis(4-ethylphenethyl)-6,6',...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanford-Burnham Medical Research Institute Curated by ChEMBL | Assay Description Displacement of F-BakBH3 from Bfl-1 after 30 mins by fluorescence polarization assay | J Med Chem 53: 8000-11 (2010) Article DOI: 10.1021/jm100746q BindingDB Entry DOI: 10.7270/Q22N52H7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human)) | BDBM50330251 (CHEMBL1269012 | N5,N5'-Bis(4-ethylphenethyl)-6,6',...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanford-Burnham Medical Research Institute Curated by ChEMBL | Assay Description Displacement of F-BakBH3 from Mcl-1 after 30 mins by fluorescence polarization assay | J Med Chem 53: 8000-11 (2010) Article DOI: 10.1021/jm100746q BindingDB Entry DOI: 10.7270/Q22N52H7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bcl-2-like protein 1 (Homo sapiens (Human)) | BDBM50330251 (CHEMBL1269012 | N5,N5'-Bis(4-ethylphenethyl)-6,6',...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanford-Burnham Medical Research Institute Curated by ChEMBL | Assay Description Displacement of F-BakBH3 from Bcl-xL after 30 mins by fluorescence polarization assay | J Med Chem 53: 8000-11 (2010) Article DOI: 10.1021/jm100746q BindingDB Entry DOI: 10.7270/Q22N52H7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Apoptosis regulator Bcl-2 (Homo sapiens (Human)) | BDBM50330251 (CHEMBL1269012 | N5,N5'-Bis(4-ethylphenethyl)-6,6',...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanford-Burnham Medical Research Institute Curated by ChEMBL | Assay Description Displacement of F-BakBH3 from Bcl-2 after 30 mins by fluorescence polarization assay | J Med Chem 53: 8000-11 (2010) Article DOI: 10.1021/jm100746q BindingDB Entry DOI: 10.7270/Q22N52H7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bcl-2-related protein A1 (Homo sapiens (Human)) | BDBM50330251 (CHEMBL1269012 | N5,N5'-Bis(4-ethylphenethyl)-6,6',...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanford-Burnham Medical Research Institute Curated by ChEMBL | Assay Description Displacement of F-BakBH3 from Bfl-1 after 30 mins by fluorescence polarization assay | J Med Chem 53: 8000-11 (2010) Article DOI: 10.1021/jm100746q BindingDB Entry DOI: 10.7270/Q22N52H7 | |||||||||||
More data for this Ligand-Target Pair |