BDBM50148002 CHEMBL107685::N-(2-{4-[5-(2-Chloro-4-methoxy-phenyl)-2H-pyrazol-3-yl]-piperidin-1-yl}-2-oxo-ethyl)-2-(R)-cyclohexyl-2-guanidino-acetamide

SMILES: COc1ccc(-c2cc([nH]n2)C2CCN(CC2)C(=O)CNC(=O)[C@H](N=C(N)N)C2CCCCC2)c(Cl)c1

InChI Key: InChIKey=GLKNUOOUFSETKT-XMMPIXPASA-N

Data: 1 IC50

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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 = 50148002   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Interleukin-2 receptor alpha chain (Mus musculus)	BDBM50148002 (CHEMBL107685 | N-(2-{4-[5-(2-Chloro-4-methoxy-phen...) Show SMILES COc1ccc(-c2cc([nH]n2)C2CCN(CC2)C(=O)CNC(=O)[C@H](N=C(N)N)C2CCCCC2)c(Cl)c1 |wD:23.25,(-10.97,-5.79,;-9.65,-6.56,;-8.32,-5.79,;-8.32,-4.25,;-6.99,-3.48,;-5.64,-4.25,;-4.36,-3.39,;-2.91,-3.93,;-1.96,-2.71,;-2.82,-1.45,;-4.31,-1.87,;-.42,-2.78,;.29,-4.15,;1.82,-4.21,;2.64,-2.91,;1.92,-1.55,;.38,-1.48,;4.18,-2.97,;4.9,-4.34,;5,-1.68,;6.54,-1.73,;7.37,-.43,;6.65,.92,;8.91,-.5,;9.73,.81,;11.27,.74,;11.97,-.63,;12.09,2.04,;9.61,-1.87,;8.78,-3.16,;9.49,-4.52,;11.03,-4.59,;11.85,-3.3,;11.15,-1.92,;-5.64,-5.79,;-4.31,-6.56,;-6.99,-6.56,)| Show InChI InChI=1S/C26H36ClN7O3/c1-37-18-7-8-19(20(27)13-18)22-14-21(32-33-22)16-9-11-34(12-10-16)23(35)15-30-25(36)24(31-26(28)29)17-5-3-2-4-6-17/h7-8,13-14,16-17,24H,2-6,9-12,15H2,1H3,(H,30,36)(H,32,33)(H4,28,29,31)/t24-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/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
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