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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

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50537899   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Isocitrate lyase


(Candida albicans)
BDBM50537899
PNG
(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/an/a 1.10E+4n/an/an/an/an/an/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
PNG
(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/an/a 3.40E+4n/an/an/an/an/an/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