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Compile Data Set for Download or QSAR

Found 3 hits with Last Name = 'yu' and Initial = 'wl'   
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
Protein kinase C eta type


(Homo sapiens (Human))
BDBM50348425
PNG
(CHEMBL1800956)
Show SMILES CN(C)c1ccc2c(CC(=O)NCCNC(=O)[C@@]3(C)CC[C@]4(C)CC[C@]5(C)C(=CC(=O)[C@@H]6[C@@]7(C)CC[C@H](O)C(C)(C)[C@@H]7CC[C@@]56C)[C@@H]4C3)cc(=O)oc2c1 |r,c:27|
Show InChI InChI=1S/C45H63N3O6/c1-40(2)34-12-15-45(7)38(43(34,5)14-13-35(40)50)32(49)25-30-31-26-42(4,17-16-41(31,3)18-19-44(30,45)6)39(53)47-21-20-46-36(51)22-27-23-37(52)54-33-24-28(48(8)9)10-11-29(27)33/h10-11,23-25,31,34-35,38,50H,12-22,26H2,1-9H3,(H,46,51)(H,47,53)/t31-,34-,35-,38+,41+,42-,43-,44+,45+/m0/s1
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n/an/an/a 640n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human PKCeta in after 2 hrs by microequilibrium dialysis assay


J Nat Prod (2010)


Article DOI: 10.1021/np100371k
BindingDB Entry DOI: 10.7270/Q2D50NZG
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50491189
PNG
(CHEMBL2375653)
Show SMILES C[C@H]1C[C@@]23OC(=O)\C(C2=O)=C2\OC\C(\C=C2)=C/[C@H](O)C\C=C\C(\C)=C\[C@@]3(C)C=C1C |r,c:15,17,30,t:10,22,25|
Show InChI InChI=1S/C25H28O5/c1-15-6-5-7-19(26)10-18-8-9-20(29-14-18)21-22(27)25(30-23(21)28)13-17(3)16(2)12-24(25,4)11-15/h5-6,8-12,17,19,26H,7,13-14H2,1-4H3/b6-5+,15-11+,18-10-,21-20+/t17-,19+,24-,25+/m0/s1
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n/an/an/a 3.59E+4n/an/an/an/an/a



University of California-San Diego

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant MIF expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetric assay


J Nat Prod 76: 817-23 (2013)


Article DOI: 10.1021/np3004497
BindingDB Entry DOI: 10.7270/Q2125WKW
More data for this
Ligand-Target Pair
Protein kinase C eta type


(Homo sapiens (Human))
BDBM50233538
PNG
(18beta-glycyrrhetic acid | 3beta-hydroxy-11-oxoole...)
Show SMILES CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |r,t:19|
Show InChI InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
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Similars

Article
PubMed
n/an/an/a 250n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human PKCeta in after 2 hrs by microequilibrium dialysis assay


J Nat Prod (2010)


Article DOI: 10.1021/np100371k
BindingDB Entry DOI: 10.7270/Q2D50NZG
More data for this
Ligand-Target Pair