BindingDB logo
myBDB logout

BDBM264845 US9718792, 55

SMILES: C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)C#CC1CC(CC#N)C1)(C(=O)NO)S(C)(=O)=O

InChI Key: InChIKey=YKRNUXPITUYPBB-OIKDLRADSA-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 = 264845   
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
UDP-3-O-acyl-GlcNAc deacetylase (LpxC)


(Pseudomonas aeruginosa)		BDBM264845
PNG
(US9718792, 55)
Show SMILES C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)C#CC1CC(CC#N)C1)(C(=O)NO)S(C)(=O)=O |r,wU:3.2,wD:1.0,c:5,(9.39,2.02,;7.9,1.62,;6.57,.85,;5.24,1.62,;3.99,.72,;2.74,1.62,;3.22,3.09,;4.76,3.09,;1.26,1.23,;.86,-.26,;-.63,-.66,;-1.72,.43,;-1.32,1.92,;.17,2.31,;-3.21,.03,;-4.69,-.37,;-6.18,-.77,;-7.52,0,;-8.29,-1.33,;-9.77,-1.73,;-10.17,-3.22,;-11.66,-3.62,;-6.95,-2.1,;9.24,.85,;10.57,1.62,;9.24,-.69,;10.57,-1.46,;7.9,3.16,;7.9,4.7,;6.36,3.16,;9.44,3.16,)|
Show InChI InChI=1S/C22H25N3O5S/c1-22(21(26)24-27,31(2,28)29)14-19-13-20(25-30-19)18-7-5-15(6-8-18)3-4-16-11-17(12-16)9-10-23/h5-8,16-17,19,27H,9,11-14H2,1-2H3,(H,24,26)/t16?,17?,19-,22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<0.00100n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
The P. aeruginosa LpxC protein is produced according to the general method of Hyland et al (Journal of Bacteriology 1997 179, 2029-2037: Cloning, exp...

US Patent US9718792 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T4Z
More data for this
Ligand-Target Pair