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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '14-3-3 protein zeta/delta' and Ligand = 'BDBM50246082'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
14-3-3 protein zeta/delta


(Homo sapiens)		BDBM50246082
PNG
(CHEMBL4073284)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1(C)CCCCCCCCCCCC[C@](C)(NC(=O)CNC(=O)[C@](C)(Cc2ccccc2F)NC(=O)COCCOCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C89H123FN14O24S/c1-49(2)37-62(76(116)94-52(7)75(115)99-67(47-105)74(91)114)96-79(119)65(43-72(110)111)97-77(117)63(38-50(3)4)101-84(124)87(9)32-22-18-16-14-12-11-13-15-17-21-31-86(8,83(123)100-64(39-51(5)6)78(118)98-66(44-73(112)113)80(120)104-87)102-70(108)46-93-82(122)88(10,45-53-23-19-20-24-61(53)90)103-71(109)48-126-36-35-125-34-33-92-85(129)95-54-25-28-58-57(40-54)81(121)128-89(58)59-29-26-55(106)41-68(59)127-69-42-56(107)27-30-60(69)89/h19-20,23-30,40-42,49-52,62-67,105-107H,11-18,21-22,31-39,43-48H2,1-10H3,(H2,91,114)(H,93,122)(H,94,116)(H,96,119)(H,97,117)(H,98,118)(H,99,115)(H,100,123)(H,101,124)(H,102,108)(H,103,109)(H,104,120)(H,110,111)(H,112,113)(H2,92,95,129)/t52-,62-,63-,64-,65-,66-,67-,86-,87-,88-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a>2.00E+4n/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Binding affinity to 14-3-3zeta (1 to 230 residues) (unknown origin) after 1 hr using FITC labeled compound by fluorescence polarization assay

J Med Chem 60: 8982-8988 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01221
BindingDB Entry DOI: 10.7270/Q2ZW1PBD
More data for this
Ligand-Target Pair