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BDBM92277 CS270

SMILES: ONC(=O)[C@H]1COC(=N1)c1ccc(OC(F)(F)F)c(Cl)c1

InChI Key: InChIKey=RLAKMLLTALVONP-SSDOTTSWSA-N

Data: 3 Kd

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 3 hits for monomerid = 92277   
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)


(Aquifex aeolicus)
BDBM92277
PNG
(CS270)
Show SMILES ONC(=O)[C@H]1COC(=N1)c1ccc(OC(F)(F)F)c(Cl)c1 |c:7|
Show InChI InChI=1S/C11H8ClF3N2O4/c12-6-3-5(1-2-8(6)21-11(13,14)15)10-16-7(4-20-10)9(18)17-19/h1-3,7,19H,4H2,(H,17,18)/t7-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 744n/an/an/a7.025



CSAR



Assay Description
OctetRed


CSAR 1: (2012)

More data for this
Ligand-Target Pair
UDP-3-O-acyl-GlcNAc deacetylase (LpxC)


(Pseudomonas aeruginosa)
BDBM92277
PNG
(CS270)
Show SMILES ONC(=O)[C@H]1COC(=N1)c1ccc(OC(F)(F)F)c(Cl)c1 |c:7|
Show InChI InChI=1S/C11H8ClF3N2O4/c12-6-3-5(1-2-8(6)21-11(13,14)15)10-16-7(4-20-10)9(18)17-19/h1-3,7,19H,4H2,(H,17,18)/t7-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

D3R
n/an/an/a 3.80E+3n/an/an/an/an/a



D3R



Assay Description
Thermofluor_Method1


D3R 224: (2015)


BindingDB Entry DOI: 10.7270/Q2HM57BR
More data for this
Ligand-Target Pair
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)


(Aquifex aeolicus)
BDBM92277
PNG
(CS270)
Show SMILES ONC(=O)[C@H]1COC(=N1)c1ccc(OC(F)(F)F)c(Cl)c1 |c:7|
Show InChI InChI=1S/C11H8ClF3N2O4/c12-6-3-5(1-2-8(6)21-11(13,14)15)10-16-7(4-20-10)9(18)17-19/h1-3,7,19H,4H2,(H,17,18)/t7-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 3.80E+3n/an/an/a7.025



CSAR



Assay Description
Thermofluor


CSAR 1: (2012)

More data for this
Ligand-Target Pair