BDBM50089220 CHEMBL3577825
SMILES: CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(O)=O
InChI Key: InChIKey=JJYVUIVVAJINNV-ZFULTKRQSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Major capsid protein L1 (Human papillomavirus type 16) | BDBM50089220 (CHEMBL3577825) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Jilin University Curated by ChEMBL | Assay Description Inhibition of pentamer formation of GST-tagged HPV16 major capsid protein L1 assessed as increased L1-m peak formation incubated with compound after ... | ACS Med Chem Lett 6: 381-5 (2015) Article DOI: 10.1021/ml500392y BindingDB Entry DOI: 10.7270/Q2TX3H4H | |||||||||||
More data for this Ligand-Target Pair |