BDBM31385 CHEMBL281240::terephthalamide scaffold, 17
SMILES: CC(C)C[C@H](NC(=O)c1ccc(cc1NC(C)C)C(=O)N(C(C)C)C(C)C)C(O)=O
InChI Key: InChIKey=DMEGSOYYABSRKY-FQEVSTJZSA-N
Data: 2 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Bcl-2-like protein 1 (Homo sapiens (Human)) | BDBM31385 (CHEMBL281240 | terephthalamide scaffold, 17) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 3.31E+3 | -7.47 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Yale University | Assay Description Fluorescence polarization experiments were conducted on a Photon Technology International instrument using a 0.3 cm path length cuvette. Spectra were... | J Am Chem Soc 127: 5463-8 (2005) Article DOI: 10.1021/ja0446404 BindingDB Entry DOI: 10.7270/Q29Z937V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bcl-2-like protein 1 (Homo sapiens (Human)) | BDBM31385 (CHEMBL281240 | terephthalamide scaffold, 17) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 3.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University Curated by ChEMBL | Assay Description Binding affinity for Bcl-xL was assessed by a fluorescence polarizationassay using a fluorescently labeled 16-mer Bak-peptide | Bioorg Med Chem Lett 14: 1375-9 (2004) Article DOI: 10.1016/j.bmcl.2003.09.096 BindingDB Entry DOI: 10.7270/Q2D799V3 | |||||||||||
More data for this Ligand-Target Pair |