BDBM50195939 CHEMBL3948181
SMILES: [H][C@@]12CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@]1([H])CSCc3cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N4CCC[C@@]4([H])C(=O)N4CCC[C@@]4([H])C(=O)N1)cc(CSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)NCC(N)=O)c3
InChI Key: InChIKey=HGWDGNGKYQBURB-KHKQOOEUSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sortase A (SrtA) (Staphylococcus aureus) | BDBM50195939 (CHEMBL3948181) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 2.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus His6-biotinylated SrtA expressed in Escherichia coli XL1-blue using Dabcyl-LPETG-Edans as substrate assessed as r... | ACS Med Chem Lett 7: 606-11 (2016) Article DOI: 10.1021/acsmedchemlett.6b00045 BindingDB Entry DOI: 10.7270/Q24M96G7 | |||||||||||
More data for this Ligand-Target Pair |