BindingDB logo
myBDB logout

BDBM65567 Synthesized Sulfanylacrylonitril Derivatives 14

SMILES: CS\C(Nc1cccc(C)c1)=C(\C#N)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=DVTHEDIWFBJGLU-MSUUIHNZSA-N

Data: 1 IC50

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 = 65567   
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
AP-4-A phosphorylase


()
BDBM65567
PNG
(Synthesized Sulfanylacrylonitril Derivatives 14)
Show SMILES CS\C(Nc1cccc(C)c1)=C(\C#N)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H16N2O2S2/c1-13-7-6-8-14(11-13)19-17(22-2)16(12-18)23(20,21)15-9-4-3-5-10-15/h3-11,19H,1-2H3/b17-16-
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.62E+3n/an/an/an/an/an/a



University of Konstanz



Assay Description
Dose response curves against Rv2613c with 1 as the substrate for derivatives 5 and 18. 8 nM of Rv2613c were preincubated in buffer (20 mM Tris-HCl (p...


ACS Chem Biol 12: 2682-2689 (2017)


Article DOI: 10.1021/acschembio.7b00653
BindingDB Entry DOI: 10.7270/Q2CV4FW6
More data for this
Ligand-Target Pair