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Compile Data Set for Download or QSAR

Found 2 hits with Last Name = 'fiedler' and Initial = 'hp'   
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50389205
PNG
(CHEMBL2063002)
Show SMILES C[C@@H](O[C@H]1CC[C@H](O[C@@H]2CC[C@@H](OC(=O)[C@H](C)[C@@H](O)C(\C)=C\c3ccc4C(=O)C=CC(=O)c4c3)[C@H](C)O2)[C@H](C)O1)[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)\C=C\[C@H](C)[C@@H](O)C[C@H](O)\C=C\CC[C@@H](C)[C@@H](O)[C@H](O)[C@@]2(O)O[C@H](C[C@@H](O)[C@@H]2O)C[C@H](C[C@@H](O)C[C@H](O)C[C@@H](O)[C@@H]2O[C@H]2[C@H]1C)OC(C)=O |r,c:28,t:58,67|
Show InChI InChI=1S/C75H114O27/c1-35-17-24-62(85)100-69(42(8)70-71(101-70)58(83)32-50(79)29-49(78)30-51(97-46(12)76)33-52-34-59(84)72(90)75(93,102-52)73(91)66(87)36(2)15-13-14-16-48(77)31-57(35)82)40(6)68(89)39(5)67(88)38(4)43(9)94-63-25-22-60(44(10)95-63)98-64-26-23-61(45(11)96-64)99-74(92)41(7)65(86)37(3)27-47-18-19-53-54(28-47)56(81)21-20-55(53)80/h14,16-21,24,27-28,35-36,38-45,48-52,57-61,63-73,77-79,82-84,86-91,93H,13,15,22-23,25-26,29-34H2,1-12H3/b16-14+,24-17+,37-27+/t35-,36+,38-,39+,40-,41+,42-,43+,44-,45-,48+,49-,50-,51-,52-,57-,58+,59+,60-,61+,63+,64+,65-,66+,67-,68-,69+,70-,71-,72-,73-,75-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 480n/an/an/an/an/an/a



Technische Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B2 by HTS cAMP assay


J Nat Prod 75: 1018-24 (2012)


Article DOI: 10.1021/np200580g
BindingDB Entry DOI: 10.7270/Q29Z95Z3
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50389205
PNG
(CHEMBL2063002)
Show SMILES C[C@@H](O[C@H]1CC[C@H](O[C@@H]2CC[C@@H](OC(=O)[C@H](C)[C@@H](O)C(\C)=C\c3ccc4C(=O)C=CC(=O)c4c3)[C@H](C)O2)[C@H](C)O1)[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)\C=C\[C@H](C)[C@@H](O)C[C@H](O)\C=C\CC[C@@H](C)[C@@H](O)[C@H](O)[C@@]2(O)O[C@H](C[C@@H](O)[C@@H]2O)C[C@H](C[C@@H](O)C[C@H](O)C[C@@H](O)[C@@H]2O[C@H]2[C@H]1C)OC(C)=O |r,c:28,t:58,67|
Show InChI InChI=1S/C75H114O27/c1-35-17-24-62(85)100-69(42(8)70-71(101-70)58(83)32-50(79)29-49(78)30-51(97-46(12)76)33-52-34-59(84)72(90)75(93,102-52)73(91)66(87)36(2)15-13-14-16-48(77)31-57(35)82)40(6)68(89)39(5)67(88)38(4)43(9)94-63-25-22-60(44(10)95-63)98-64-26-23-61(45(11)96-64)99-74(92)41(7)65(86)37(3)27-47-18-19-53-54(28-47)56(81)21-20-55(53)80/h14,16-21,24,27-28,35-36,38-45,48-52,57-61,63-73,77-79,82-84,86-91,93H,13,15,22-23,25-26,29-34H2,1-12H3/b16-14+,24-17+,37-27+/t35-,36+,38-,39+,40-,41+,42-,43+,44-,45-,48+,49-,50-,51-,52-,57-,58+,59+,60-,61+,63+,64+,65-,66+,67-,68-,69+,70-,71-,72-,73-,75-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.17E+3n/an/an/an/an/an/a



Technische Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3beta by KinaseGlo assay


J Nat Prod 75: 1018-24 (2012)


Article DOI: 10.1021/np200580g
BindingDB Entry DOI: 10.7270/Q29Z95Z3
More data for this
Ligand-Target Pair