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3 similar compounds to monomer 50246102

Compile data set for download or QSAR
Wt: 1859.0
BDBM50246101
Wt: 1773.0
BDBM50246103

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50246101,50246103   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
14-3-3 protein zeta/delta


(Homo sapiens)
BDBM50246103
PNG
(CHEMBL4080446)
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@@H](CO)C(N)=O
Show InChI InChI=1S/C84H121N15O25S/c1-45(2)34-57(73(113)89-48(7)71(111)95-62(43-100)70(86)110)92-76(116)60(40-68(106)107)93-74(114)58(35-46(3)4)97-80(120)83(9)29-19-17-15-13-11-10-12-14-16-18-28-82(8,79(119)96-59(36-47(5)6)75(115)94-61(41-69(108)109)77(117)99-83)98-66(104)42-88-72(112)56(26-27-65(85)103)91-67(105)44-122-33-32-121-31-30-87-81(125)90-49-20-23-53-52(37-49)78(118)124-84(53)54-24-21-50(101)38-63(54)123-64-39-51(102)22-25-55(64)84/h20-25,37-39,45-48,56-62,100-102H,10-19,26-36,40-44H2,1-9H3,(H2,85,103)(H2,86,110)(H,88,112)(H,89,113)(H,91,105)(H,92,116)(H,93,114)(H,94,115)(H,95,111)(H,96,119)(H,97,120)(H,98,104)(H,99,117)(H,106,107)(H,108,109)(H2,87,90,125)/t48-,56-,57-,58-,59-,60-,61-,62-,82-,83-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/a 103n/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
14-3-3 protein zeta/delta


(Homo sapiens)
BDBM50246101
PNG
(CHEMBL4096528)
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@@H](CC(C(O)=O)C(O)=O)C(N)=O
Show InChI InChI=1S/C87H123N15O28S/c1-45(2)34-59(74(115)92-48(7)72(113)95-58(71(89)112)40-53(79(120)121)80(122)123)96-77(118)62(41-69(108)109)97-75(116)60(35-46(3)4)100-83(126)86(9)29-19-17-15-13-11-10-12-14-16-18-28-85(8,82(125)99-61(36-47(5)6)76(117)98-63(42-70(110)111)78(119)102-86)101-67(106)43-91-73(114)57(26-27-66(88)105)94-68(107)44-128-33-32-127-31-30-90-84(131)93-49-20-23-54-52(37-49)81(124)130-87(54)55-24-21-50(103)38-64(55)129-65-39-51(104)22-25-56(65)87/h20-25,37-39,45-48,53,57-63,103-104H,10-19,26-36,40-44H2,1-9H3,(H2,88,105)(H2,89,112)(H,91,114)(H,92,115)(H,94,107)(H,95,113)(H,96,118)(H,97,116)(H,98,117)(H,99,125)(H,100,126)(H,101,106)(H,102,119)(H,108,109)(H,110,111)(H,120,121)(H,122,123)(H2,90,93,131)/t48-,57-,58-,59-,60-,61-,62-,63-,85-,86-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 99n/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