BDBM50537899 CADIOLIDE D::Cadiolide D

SMILES: Oc1ccc(\C=C2/OC(=O)C(C(=O)c3cc(Br)c(O)c(Br)c3)=C2c2cc(Br)c(O)c(Br)c2)cc1Br

InChI Key: InChIKey=KCCCPXKQCGHGDT-LMXLVEHLSA-N

Data: 2 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50537899   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Isocitrate lyase (Candida albicans)	BDBM50537899 (CADIOLIDE D | Cadiolide D) Show SMILES Oc1ccc(\C=C2/OC(=O)C(C(=O)c3cc(Br)c(O)c(Br)c3)=C2c2cc(Br)c(O)c(Br)c2)cc1Br Show InChI InChI=1S/C24H11Br5O6/c25-12-3-9(1-2-17(12)30)4-18-19(10-5-13(26)22(32)14(27)6-10)20(24(34)35-18)21(31)11-7-15(28)23(33)16(29)8-11/h1-8,30,32-33H/b18-4-	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of Candida albicans ICL assessed as reduction in glyoxylate phenylhydrazone formation using M threo-DL(+)isocitrate as substrate incubated...				J Nat Prod 83: 429-437 (2020) Article DOI: 10.1021/acs.jnatprod.9b00968
					More data for this Ligand-Target Pair
Sortase A (SrtA) (Staphylococcus aureus)	BDBM50537899 (CADIOLIDE D | Cadiolide D) Show SMILES Oc1ccc(\C=C2/OC(=O)C(C(=O)c3cc(Br)c(O)c(Br)c3)=C2c2cc(Br)c(O)c(Br)c2)cc1Br Show InChI InChI=1S/C24H11Br5O6/c25-12-3-9(1-2-17(12)30)4-18-19(10-5-13(26)22(32)14(27)6-10)20(24(34)35-18)21(31)11-7-15(28)23(33)16(29)8-11/h1-8,30,32-33H/b18-4-	PDB MMDB KEGG UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+4	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				J Nat Prod 83: 429-437 (2020) Article DOI: 10.1021/acs.jnatprod.9b00968
					More data for this Ligand-Target Pair