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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Catalytic domain 1 (zCD1)'   
Target
(Institution)
LigandTarget
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
Catalytic domain 1 (zCD1)


(Danio rerio)
BDBM198120
PNG
(TSA)
Show SMILES CC(\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
4.80n/a 7n/an/an/an/an/an/a



University of Pennsylvania,



Assay Description
The fluorescence anisotropy assay was performed with fluorescein-labeled SAHA (fl-SAHA, gift of C. Fierke, University of Michigan) and measured using...


Nat Chem Biol 12: 741-747 (2016)

More data for this
Ligand-Target Pair
Catalytic domain 1 (zCD1)


(Danio rerio)
BDBM198125
PNG
(fl-SAHA)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12
Show InChI InChI=1S/C28H26N2O8/c31-17-8-11-20-23(14-17)38-24-15-18(32)9-12-21(24)27(20)19-10-7-16(13-22(19)28(35)36)29-25(33)5-3-1-2-4-6-26(34)30-37/h7-15,31,37H,1-6H2,(H,29,33)(H,30,34)(H,35,36)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
n/an/an/a 1.60E+3n/an/an/an/an/a



University of Pennsylvania,



Assay Description
The fluorescence anisotropy assay was performed with fluorescein-labeled SAHA (fl-SAHA, gift of C. Fierke, University of Michigan) and measured using...


Nat Chem Biol 12: 741-747 (2016)

More data for this
Ligand-Target Pair