BindingDB logo
myBDB logout

null

SMILES: CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccc(s2)-c2cc([n+](C)[nH]2)C(F)(F)F)C(O)=O)cc1

InChI Key: InChIKey=KWAMWCBNOWFXGG-QHCPKHFHSA-O

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 = 36689   
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
Thymidylate synthase


(Lactobacillus casei)		BDBM36689
PNG
(Dansyltyrosine deriviative 6B)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccc(s2)-c2cc([n+](C)[nH]2)C(F)(F)F)C(O)=O)cc1 |r|
Show InChI InChI=1S/C30H27F3N4O7S3/c1-36(2)24-8-4-7-21-20(24)6-5-9-26(21)47(42,43)44-19-12-10-18(11-13-19)16-23(29(38)39)35-46(40,41)28-15-14-25(45-28)22-17-27(30(31,32)33)37(3)34-22/h4-15,17,23,35H,16H2,1-3H3,(H,38,39)/p+1/t23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.80E+4n/an/an/an/a7.420



Northwestern University



Assay Description
The enzyme assay were performed spectrophotometrically by following the absorbance at 340nm using a hewlett Packard 8453 UV spectrophotometer equippe...

Chem Biol 6: 319-31 (1999)


Article DOI: 10.1016/S1074-5521(99)80077-5
BindingDB Entry DOI: 10.7270/Q2S180VB
More data for this
Ligand-Target Pair