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BDBM50148004 3-[2,3-Dichloro-4-(5-{1-[2-((R)-2-guanidino-4-methyl-1-oxo-pentylamino)-acetyl]-piperidin-4-yl}-1-methyl-1H-pyrazol-3-yl)-phenoxymethyl]-benzoic acid::CHEMBL108123

SMILES: [#6]-[#6](-[#6])-[#6]-[#6@@H](\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-c1cc(nn1-[#6])-c1ccc(-[#8]-[#6]-c2cccc(c2)-[#6](-[#8])=O)c(Cl)c1Cl

InChI Key: InChIKey=DXXSRBULFHQCQV-XMMPIXPASA-N

Data: 1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50148004   
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
Interleukin-2 receptor alpha chain


(Mus musculus)
BDBM50148004
PNG
(3-[2,3-Dichloro-4-(5-{1-[2-((R)-2-guanidino-4-meth...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@@H](\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-c1cc(nn1-[#6])-c1ccc(-[#8]-[#6]-c2cccc(c2)-[#6](-[#8])=O)c(Cl)c1Cl
Show InChI InChI=1S/C32H39Cl2N7O5/c1-18(2)13-24(38-32(35)36)30(43)37-16-27(42)41-11-9-20(10-12-41)25-15-23(39-40(25)3)22-7-8-26(29(34)28(22)33)46-17-19-5-4-6-21(14-19)31(44)45/h4-8,14-15,18,20,24H,9-13,16-17H2,1-3H3,(H,37,43)(H,44,45)(H4,35,36,38)/t24-/m1/s1
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Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Concentration required to inhibit mouse interleukin-2 alpha receptor was determined by SPA assay


J Med Chem 47: 3111-30 (2004)


Article DOI: 10.1021/jm049967u
BindingDB Entry DOI: 10.7270/Q2TQ6280
More data for this
Ligand-Target Pair