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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ACT1 (R335K)' and Ligand = 'BDBM65516'   
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)
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

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PC sid
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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)


Article DOI: 10.1021/acschembio.7b00385
BindingDB Entry DOI: 10.7270/Q25B00MP
More data for this
Ligand-Target Pair