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BDBM50246118 CHEMBL4071395

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@H](CCC(N)=O)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@@](C)(Cc1ccccc1F)C(N)=O

InChI Key: InChIKey=FXZJNNJALJCACV-JGOOOEGQSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50246118   
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
14-3-3 protein zeta/delta


(Homo sapiens)		BDBM50246118
PNG
(CHEMBL4071395)
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@H](CCC(N)=O)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@@](C)(Cc1ccccc1F)C(N)=O |r|
Show InChI InChI=1S/C91H126FN15O24S/c1-50(2)39-64(78(119)97-53(7)76(117)106-90(10,84(94)125)47-54-23-19-20-24-62(54)92)100-81(122)67(45-74(113)114)101-79(120)65(40-51(3)4)104-86(127)89(9)34-22-18-16-14-12-11-13-15-17-21-33-88(8,85(126)103-66(41-52(5)6)80(121)102-68(46-75(115)116)82(123)107-89)105-72(111)48-96-77(118)63(31-32-71(93)110)99-73(112)49-129-38-37-128-36-35-95-87(132)98-55-25-28-59-58(42-55)83(124)131-91(59)60-29-26-56(108)43-69(60)130-70-44-57(109)27-30-61(70)91/h19-20,23-30,42-44,50-53,63-68,108-109H,11-18,21-22,31-41,45-49H2,1-10H3,(H2,93,110)(H2,94,125)(H,96,118)(H,97,119)(H,99,112)(H,100,122)(H,101,120)(H,102,121)(H,103,126)(H,104,127)(H,105,111)(H,106,117)(H,107,123)(H,113,114)(H,115,116)(H2,95,98,132)/t53-,63-,64-,65-,66-,67-,68-,88-,89-,90-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
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UniChem

Similars
Article
PubMed
n/an/an/a 1.00E+3n/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