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SMILES: CCc1nc(sc1C)[C@H](Cc1ccc(NS(O)(=O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC

InChI Key: InChIKey=UFFMDKKUPWAYOC-VXKWHMMOSA-N

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 = 359104   
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
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359104
PNG
(US10220048, Compound AA14 | US10952992, No. AA14 |...)
Show SMILES CCc1nc(sc1C)[C@H](Cc1ccc(NS(O)(=O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC |r|
Show InChI InChI=1S/C25H30N4O6S2/c1-4-20-16(2)36-24(27-20)22(15-18-10-12-19(13-11-18)29-37(32,33)34)26-23(30)21(28-25(31)35-3)14-17-8-6-5-7-9-17/h5-13,21-22,29H,4,14-15H2,1-3H3,(H,26,30)(H,28,31)(H,32,33,34)/t21-,22-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 0.100n/an/an/an/an/an/a



AERPIO THERAPEUTICS, INC.

US Patent


Assay Description
HPTP-β inhibition can be tested by any method chosen by the formulator, for example, Amarasinge K. K. et al., “Design and Synthesis of Potent, N...


US Patent US10220048 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359104
PNG
(US10220048, Compound AA14 | US10952992, No. AA14 |...)
Show SMILES CCc1nc(sc1C)[C@H](Cc1ccc(NS(O)(=O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC |r|
Show InChI InChI=1S/C25H30N4O6S2/c1-4-20-16(2)36-24(27-20)22(15-18-10-12-19(13-11-18)29-37(32,33)34)26-23(30)21(28-25(31)35-3)14-17-8-6-5-7-9-17/h5-13,21-22,29H,4,14-15H2,1-3H3,(H,26,30)(H,28,31)(H,32,33,34)/t21-,22-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
n/an/a 0.100n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM359104
PNG
(US10220048, Compound AA14 | US10952992, No. AA14 |...)
Show SMILES CCc1nc(sc1C)[C@H](Cc1ccc(NS(O)(=O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC |r|
Show InChI InChI=1S/C25H30N4O6S2/c1-4-20-16(2)36-24(27-20)22(15-18-10-12-19(13-11-18)29-37(32,33)34)26-23(30)21(28-25(31)35-3)14-17-8-6-5-7-9-17/h5-13,21-22,29H,4,14-15H2,1-3H3,(H,26,30)(H,28,31)(H,32,33,34)/t21-,22-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 0.100n/an/an/an/an/an/a



AERPIO PHARMACEUTICALS, INC.

US Patent


Assay Description
Non-limiting examples of the HPTP-β IC50 (μM) activity.


US Patent US10952992 (2021)

More data for this
Ligand-Target Pair