BindingDB logo
myBDB logout

null

SMILES: CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(cc2)C(C)=O)C1=O

InChI Key: InChIKey=VQRZDORXXZWESD-UHFFFAOYSA-N

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 = 50220627   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
3-oxoacyl-[acyl-carrier-protein] synthase 3


(Mycobacterium tuberculosis)		BDBM50220627
PNG
(5-(4'-acetyl-biphenyl-4-ylmethyl)-4-hydroxy-3,5-di...)
Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(cc2)C(C)=O)C1=O
Show InChI InChI=1S/C21H20O3S/c1-13-19(23)21(3,25-20(13)24)12-15-4-6-17(7-5-15)18-10-8-16(9-11-18)14(2)22/h4-11,13H,12H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.40E+4n/an/an/an/an/an/a



University of Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis FabH

Bioorg Med Chem Lett 17: 5643-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.082
BindingDB Entry DOI: 10.7270/Q2QF8TPJ
More data for this
Ligand-Target Pair