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BDBM13809 (2S)-N-[(1S)-1-carbamoyl-2-[4-(1,1,3-trioxo-2,3-dihydro-1,2-thiazol-5-yl)phenyl]ethyl]-3-phenyl-2-{1-[4-(1,1,3-trioxo-2,3-dihydro-1,2-thiazol-5-yl)phenyl]acetamido}propanamide::IZD 4

SMILES: NC(=O)[C@H](Cc1ccc(cc1)C1=CC(=O)NS1(=O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(cc1)C1=CC(=O)NS1(=O)=O

InChI Key: InChIKey=UFODMKCMIALWNE-ISIPKWIHNA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 13809   
Target
(Institution)
LigandTarget
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
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13809
PNG
((2S)-N-[(1S)-1-carbamoyl-2-[4-(1,1,3-trioxo-2,3-di...)
Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C1=CC(=O)NS1(=O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(cc1)C1=CC(=O)NS1(=O)=O |r,t:12,44|
Show InChI InChI=1/C32H29N5O9S2/c33-31(41)24(14-20-6-10-22(11-7-20)26-17-29(39)36-47(26,43)44)35-32(42)25(15-19-4-2-1-3-5-19)34-28(38)16-21-8-12-23(13-9-21)27-18-30(40)37-48(27,45)46/h1-13,17-18,24-25H,14-16H2,(H2,33,41)(H,34,38)(H,35,42)(H,36,39)(H,37,40)/t24-,25-/s2
PDB
MMDB

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PC cid
PC sid
PDB
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Patents


Similars

AffyNet 
PDB
Article
PubMed
n/an/a 65n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)