BDBM50312634 (+)-Discorhabdin I::1-debromodiscorhabdin B::CHEMBL1086886

SMILES: O=C1C=C[C@]23C[C@H](SC2=C1)N=C1C3C2=NCCc3c[nH]c(c23)C1=O

InChI Key: InChIKey=OVHZMAJFIKTHFC-LPSAFJIBSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50312634   

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)	BDBM50312634 ((+)-Discorhabdin I | 1-debromodiscorhabdin B | CHE...) Show SMILES O=C1C=C[C@]23C[C@H](SC2=C1)N=C1C3C2=NCCc3c[nH]c(c23)C1=O |r,c:2,9,12,t:16| Show InChI InChI=1S/C18H13N3O2S/c22-9-1-3-18-6-11(24-10(18)5-9)21-16-13(18)14-12-8(2-4-19-14)7-20-15(12)17(16)23/h1,3,5,7,11,13,20H,2,4,6H2/t11?,13?,18-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus sortase A after 1 hr in the presence of fluorescent peptide Dabcul-QALPETGEE-Edans by fluorimetry				J Nat Prod 73: 258-62 (2010) Article DOI: 10.1021/np9005629 BindingDB Entry DOI: 10.7270/Q2BV7HM8
					More data for this Ligand-Target Pair