BDBM50100332 CHEMBL415843::RO-09-3655 derivative
SMILES: CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CCCN(CCCN)C(=O)[C@H](CCCN)N(CCN)CCN)C(=O)O1
InChI Key: InChIKey=WRLKNYWWAPRBTD-MUYNXBBSSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Glucan Synthase (Candida albicans (Yeast)) | BDBM50100332 (CHEMBL415843 | RO-09-3655 derivative) | UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center Curated by ChEMBL | Assay Description In vitro inhibitory activity against Beta glucan synthase | Bioorg Med Chem Lett 11: 1273-6 (2001) BindingDB Entry DOI: 10.7270/Q2CN74FQ | |||||||||||
More data for this Ligand-Target Pair |