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SMILES: COc1ccc(cc1)-c1cc(C(=O)NCC2CCCO2)c2cc(ccc2n1)C(C)C

InChI Key: InChIKey=YWCFYJUATZTKSP-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 = 96212   
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
Fructose-bisphosphate aldolase


(Mycobacterium tuberculosis (strain H37Rv))		BDBM96212
PNG
(2-(4-methoxyphenyl)-N-(2-oxolanylmethyl)-6-propan-...)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)NCC2CCCO2)c2cc(ccc2n1)C(C)C
Show InChI InChI=1S/C25H28N2O3/c1-16(2)18-8-11-23-21(13-18)22(25(28)26-15-20-5-4-12-30-20)14-24(27-23)17-6-9-19(29-3)10-7-17/h6-11,13-14,16,20H,4-5,12,15H2,1-3H3,(H,26,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 797n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q25719N6
More data for this
Ligand-Target Pair