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BDBM95042 6-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one::6-[2-(butan-2-ylamino)-4-thiazolyl]-4H-1,4-benzoxazin-3-one::6-[2-(sec-butylamino)thiazol-4-yl]-4H-1,4-benzoxazin-3-one::MLS000567115::SMR000153854::cid_3570397

SMILES: CCC(C)Nc1nc(cs1)-c1ccc2OCC(=O)Nc2c1

InChI Key: InChIKey=UFHWZNRPXNLHAW-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 95042   
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
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM95042
PNG
(6-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-4H-1,4-be...)
Show SMILES CCC(C)Nc1nc(cs1)-c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C15H17N3O2S/c1-3-9(2)16-15-18-12(8-21-15)10-4-5-13-11(6-10)17-14(19)7-20-13/h4-6,8-9H,3,7H2,1-2H3,(H,16,18)(H,17,19)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.05E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM95042
PNG
(6-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-4H-1,4-be...)
Show SMILES CCC(C)Nc1nc(cs1)-c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C15H17N3O2S/c1-3-9(2)16-15-18-12(8-21-15)10-4-5-13-11(6-10)17-14(19)7-20-13/h4-6,8-9H,3,7H2,1-2H3,(H,16,18)(H,17,19)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.33E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair