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BDBM20227 34, Ac-pTyr-Leu-Pro-3Ac6c-NH2::4-[(2S)-2-{[(2S)-1-[(2S)-2-[(3-carbamoylcyclohexyl)carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamoyl}-2-acetamidoethyl]phenoxyphosphonic acid

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)NC1CCCC(C1)C(N)=O

InChI Key: InChIKey=IUHPBSSLJRLQRZ-QWIQMNQVSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 20227   
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
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM20227
PNG
(34, Ac-pTyr-Leu-Pro-3Ac6c-NH2 | 4-[(2S)-2-{[(2S)-1...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)NC1CCCC(C1)C(N)=O |r|
Show InChI InChI=1S/C29H44N5O9P/c1-17(2)14-24(29(39)34-13-5-8-25(34)28(38)32-21-7-4-6-20(16-21)26(30)36)33-27(37)23(31-18(3)35)15-19-9-11-22(12-10-19)43-44(40,41)42/h9-12,17,20-21,23-25H,4-8,13-16H2,1-3H3,(H2,30,36)(H,31,35)(H,32,38)(H,33,37)(H2,40,41,42)/t20?,21?,23-,24-,25-/m0/s1
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a 9.81E+3n/an/an/an/an/an/a



The University of Texas at Houston



Assay Description
Fluorescence polarization (FP) binding assay is utilizing the intrinsic property of the fluorescent probe, which will have low polarization value whe...


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
More data for this
Ligand-Target Pair