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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'ACT1 (R335K)'   
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
ACT1 (R335K)


(Baker's yeast)
BDBM65515
PNG
(76343-93-6 | LAT-A | LatA | Latrunculin A)
Show SMILES C[C@H]1CC[C@@H]2C[C@H](C[C@@](O)(O2)[C@@H]2CSC(=O)N2)OC(=O)\C=C(C)/CC\C=C\C=C/1
Show InChI InChI=1S/C22H31NO5S/c1-15-7-5-3-4-6-8-16(2)11-20(24)27-18-12-17(10-9-15)28-22(26,13-18)19-14-29-21(25)23-19/h3-5,7,11,15,17-19,26H,6,8-10,12-14H2,1-2H3,(H,23,25)/b4-3+,7-5-,16-11-/t15-,17-,18-,19+,22-/m1/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/a30



Novartis Pharma AG



Assay Description
Saturated ACT1 wild type (WT) as well as engineered ACT1 R183K (R183K) and ACT1 R335K (R335K) cultures were adjusted to 10 OD600 and 3 uL of serial 1...


ACS Chem Biol 12: 2264-2269 (2017)

More data for this
Ligand-Target Pair
ACT1 (R335K)


(Baker's yeast)
BDBM65506
PNG
(CHEBI:80062 | Chivosazole F | SCHEMBL1889389)
Show SMILES COC1CC(O)\C=C\C=C\C=C/C(C)C(OC(=O)\C=C/C=C/C=C\C(\C)=C\C(C)C(O)\C=C/C=C/c2coc(n2)C1C)C(C)C(O)CC(C)O
Show InChI InChI=1S/C41H57NO8/c1-28-18-12-8-11-15-23-39(47)50-40(32(5)37(46)25-31(4)43)29(2)19-13-9-10-14-21-35(44)26-38(48-7)33(6)41-42-34(27-49-41)20-16-17-22-36(45)30(3)24-28/h8-24,27,29-33,35-38,40,43-46H,25-26H2,1-7H3/b10-9+,11-8+,18-12-,19-13-,20-16+,21-14+,22-17-,23-15-,28-24+
PDB

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KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 270n/an/an/an/an/a30



Novartis Pharma AG



Assay Description
Saturated ACT1 wild type (WT) as well as engineered ACT1 R183K (R183K) and ACT1 R335K (R335K) cultures were adjusted to 10 OD600 and 3 uL of serial 1...


ACS Chem Biol 12: 2264-2269 (2017)

More data for this
Ligand-Target Pair
ACT1 (R335K)


(Baker's yeast)
BDBM65516
PNG
(CHEBI:84382 | CHEMBL2426321 | Chondramide C | SCHE...)
Show SMILES C[C@H]1OC(=O)C[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C\C(C)=C\[C@H]1C)c1ccc(O)cc1
Show InChI InChI=1S/C35H44N4O6/c1-20-15-21(2)24(5)45-32(41)18-30(25-11-13-27(40)14-12-25)38-34(43)31(17-26-19-36-29-10-8-7-9-28(26)29)39(6)35(44)23(4)37-33(42)22(3)16-20/h7-15,19,21-24,30-31,36,40H,16-18H2,1-6H3,(H,37,42)(H,38,43)/b20-15+/t21-,22+,23+,24-,30-,31-/m1/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.51E+4n/an/an/an/an/a30



Novartis Pharma AG



Assay Description
Saturated ACT1 wild type (WT) as well as engineered ACT1 R183K (R183K) and ACT1 R335K (R335K) cultures were adjusted to 10 OD600 and 3 uL of serial 1...


ACS Chem Biol 12: 2264-2269 (2017)

More data for this
Ligand-Target Pair