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BDBM50148008 (R)-2-Cyclohexyl-N-(2-{4-[5-(2,3-dichloro-phenyl)-2H-pyrazol-3-yl]-piperidin-1-yl}-2-oxo-ethyl)-2-guanidino-acetamide::2-(R)-Cyclohexyl-N-(2-{4-[5-(2,3-dichloro-phenyl)-2H-pyrazol-3-yl]-piperidin-1-yl}-2-oxo-ethyl)-2-guanidino-acetamide::2-CYCLOHEXYL-N-(2-{4-[5-(2,3-DICHLORO-PHENYL)-2H-PYRAZOL-3-YL]-PIPERIDIN-1-YL}-2-OXO-ETHYL)-2-GUANIDINO-ACETAMIDE::CHEMBL106187

SMILES: NC(N)=N[C@H](C1CCCCC1)C(=O)NCC(=O)N1CCC(CC1)c1cc(n[nH]1)-c1cccc(Cl)c1Cl

InChI Key: InChIKey=SSSXBBASYYVGCI-HSZRJFAPSA-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 = 50148008   
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


(Homo sapiens (Human))
BDBM50148008
PNG
((R)-2-Cyclohexyl-N-(2-{4-[5-(2,3-dichloro-phenyl)-...)
Show SMILES NC(N)=N[C@H](C1CCCCC1)C(=O)NCC(=O)N1CCC(CC1)c1cc(n[nH]1)-c1cccc(Cl)c1Cl |wD:4.3,(11.97,-.63,;11.27,.74,;12.09,2.04,;9.73,.81,;8.91,-.5,;9.61,-1.87,;11.15,-1.92,;11.85,-3.3,;11.03,-4.59,;9.49,-4.52,;8.78,-3.16,;7.37,-.43,;6.65,.92,;6.54,-1.73,;5,-1.68,;4.18,-2.97,;4.9,-4.34,;2.64,-2.91,;1.82,-4.21,;.29,-4.15,;-.42,-2.78,;.38,-1.48,;1.92,-1.55,;-1.96,-2.71,;-2.91,-3.93,;-4.36,-3.39,;-4.31,-1.87,;-2.82,-1.45,;-5.64,-4.25,;-6.99,-3.48,;-8.32,-4.25,;-8.32,-5.79,;-6.99,-6.56,;-6.99,-8.1,;-5.64,-5.79,;-4.31,-6.56,)|
Show InChI InChI=1S/C25H33Cl2N7O2/c26-18-8-4-7-17(22(18)27)20-13-19(32-33-20)15-9-11-34(12-10-15)21(35)14-30-24(36)23(31-25(28)29)16-5-2-1-3-6-16/h4,7-8,13,15-16,23H,1-3,5-6,9-12,14H2,(H,30,36)(H,32,33)(H4,28,29,31)/t23-/m1/s1
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MMDB
Article
n/an/a 6.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to IL2 (unknown origin) assessed as inhibition of binding to IL2 receptor alpha


Citation and Details

Article DOI: 10.1007/s00044-013-0564-x
BindingDB Entry DOI: 10.7270/Q20V8GP1
More data for this
Ligand-Target Pair
Interleukin-2 receptor alpha chain


(Mus musculus)
BDBM50148008
PNG
((R)-2-Cyclohexyl-N-(2-{4-[5-(2,3-dichloro-phenyl)-...)
Show SMILES NC(N)=N[C@H](C1CCCCC1)C(=O)NCC(=O)N1CCC(CC1)c1cc(n[nH]1)-c1cccc(Cl)c1Cl |wD:4.3,(11.97,-.63,;11.27,.74,;12.09,2.04,;9.73,.81,;8.91,-.5,;9.61,-1.87,;11.15,-1.92,;11.85,-3.3,;11.03,-4.59,;9.49,-4.52,;8.78,-3.16,;7.37,-.43,;6.65,.92,;6.54,-1.73,;5,-1.68,;4.18,-2.97,;4.9,-4.34,;2.64,-2.91,;1.82,-4.21,;.29,-4.15,;-.42,-2.78,;.38,-1.48,;1.92,-1.55,;-1.96,-2.71,;-2.91,-3.93,;-4.36,-3.39,;-4.31,-1.87,;-2.82,-1.45,;-5.64,-4.25,;-6.99,-3.48,;-8.32,-4.25,;-8.32,-5.79,;-6.99,-6.56,;-6.99,-8.1,;-5.64,-5.79,;-4.31,-6.56,)|
Show InChI InChI=1S/C25H33Cl2N7O2/c26-18-8-4-7-17(22(18)27)20-13-19(32-33-20)15-9-11-34(12-10-15)21(35)14-30-24(36)23(31-25(28)29)16-5-2-1-3-6-16/h4,7-8,13,15-16,23H,1-3,5-6,9-12,14H2,(H,30,36)(H,32,33)(H4,28,29,31)/t23-/m1/s1
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Article
PubMed
n/an/a 1.00E+4n/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