BDBM65516 CHEBI:84382::CHEMBL2426321::Chondramide C::SCHEMBL15752251
SMILES: C[C@H]1OC(=O)C[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C\C(C)=C\[C@H]1C)c1ccc(O)cc1
InChI Key: InChIKey=NCRSWJPOFRASIF-HPUNWYTPSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ACT1 (Baker's yeast) | BDBM65516 (CHEBI:84382 | CHEMBL2426321 | Chondramide C) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.67E+4 | n/a | n/a | n/a | n/a | n/a | 30 |
Novartis Pharma AG | Assay Description Saturated ACT1 wild type (WT) as well as engineered ACT1 R183K (R183K) and ACT1 R335K (R335K) cultures were adjusted to 10 OD600 and 3 uL of serial 1... | ACS Chem Biol 12: 2264-2269 (2017) Article DOI: 10.1021/acschembio.7b00385 BindingDB Entry DOI: 10.7270/Q25B00MP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ACT1 (R335K) (Baker's yeast) | BDBM65516 (CHEBI:84382 | CHEMBL2426321 | Chondramide C) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.51E+4 | n/a | n/a | n/a | n/a | n/a | 30 |
Novartis Pharma AG | Assay Description Saturated ACT1 wild type (WT) as well as engineered ACT1 R183K (R183K) and ACT1 R335K (R335K) cultures were adjusted to 10 OD600 and 3 uL of serial 1... | ACS Chem Biol 12: 2264-2269 (2017) Article DOI: 10.1021/acschembio.7b00385 BindingDB Entry DOI: 10.7270/Q25B00MP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ACT1 (R183K) (Baker's yeast) | BDBM65516 (CHEBI:84382 | CHEMBL2426321 | Chondramide C) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.19E+4 | n/a | n/a | n/a | n/a | n/a | 30 |
Novartis Pharma AG | Assay Description Saturated ACT1 wild type (WT) as well as engineered ACT1 R183K (R183K) and ACT1 R335K (R335K) cultures were adjusted to 10 OD600 and 3 uL of serial 1... | ACS Chem Biol 12: 2264-2269 (2017) Article DOI: 10.1021/acschembio.7b00385 BindingDB Entry DOI: 10.7270/Q25B00MP | |||||||||||
More data for this Ligand-Target Pair |