BDBM50236529 CHEMBL3730154
SMILES: Oc1ccc(C(=O)N(Cc2ccccc2)c2ccccc2)c(O)c1
InChI Key: InChIKey=XKBPCIOZRYDFSC-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human)) | BDBM50236529 (CHEMBL3730154) | PDB KEGG B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd. Curated by ChEMBL | Assay Description Binding affinity to PDHK1 (unknown origin) by isothermal titration calorimetry | J Med Chem 60: 2271-2286 (2017) Article DOI: 10.1021/acs.jmedchem.6b01478 BindingDB Entry DOI: 10.7270/Q2XG9TDJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human)) | BDBM50236529 (CHEMBL3730154) | PDB KEGG B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd. Curated by ChEMBL | Assay Description Binding affinity to PDHK1 (unknown origin) by surface plasmon resonance method | J Med Chem 60: 2271-2286 (2017) Article DOI: 10.1021/acs.jmedchem.6b01478 BindingDB Entry DOI: 10.7270/Q2XG9TDJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Heat shock protein HSP 90-alpha (Homo sapiens (Human)) | BDBM50236529 (CHEMBL3730154) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd. Curated by ChEMBL | Assay Description Binding affinity to HSP90A (unknown origin) by surface plasmon resonance method | J Med Chem 60: 2271-2286 (2017) Article DOI: 10.1021/acs.jmedchem.6b01478 BindingDB Entry DOI: 10.7270/Q2XG9TDJ | |||||||||||
More data for this Ligand-Target Pair |