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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Threonine aspartase 1' AND taxid = 9606   
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
Threonine aspartase 1


(Homo sapiens)
BDBM50300921
PNG
((S)-3-((S)-2-{(S)-2-[(S)-2-((2S,3S)-2-Acetylamino-...)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O
Show InChI InChI=1S/C28H48N6O11S/c1-7-16(4)24(30-17(5)36)28(43)34-21(14-35)27(42)32-19(8-9-22(29)37)25(40)33-20(12-15(2)3)26(41)31-18(13-23(38)39)10-11-46(6,44)45/h10-11,15-16,18-21,24,35H,7-9,12-14H2,1-6H3,(H2,29,37)(H,30,36)(H,31,41)(H,32,42)(H,33,40)(H,34,43)(H,38,39)/b11-10+/t16-,18+,19-,20-,21-,24-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 2.94E+4n/an/an/an/an/an/a



Stanford School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant Taspase 1 assessed as accumulation of emitted fluorescence by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Threonine aspartase 1


(Homo sapiens)
BDBM50300922
PNG
((4S,7S,10S,13S,16S)-10-(3-amino-3-oxopropyl)-4-sec...)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C=CCC(C)=O)C(O)=O
Show InChI InChI=1S/C29H48N6O10/c1-7-16(4)24(31-18(6)38)28(43)35-22(14-36)27(42)32-19(11-12-23(30)39)25(40)34-21(13-15(2)3)26(41)33-20(29(44)45)10-8-9-17(5)37/h8,10,15-16,19-22,24,36H,7,9,11-14H2,1-6H3,(H2,30,39)(H,31,38)(H,32,42)(H,33,41)(H,34,40)(H,35,43)(H,44,45)/t16-,19-,20-,21-,22-,24-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 6.34E+4n/an/an/an/an/an/a



Stanford School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant Taspase 1 assessed as accumulation of emitted fluorescence by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Threonine aspartase 1


(Homo sapiens)
BDBM50300923
PNG
((4S,7S,10S,13S,16S)-10-(3-amino-3-oxopropyl)-4-sec...)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)C1(C)CO1)C(O)=O
Show InChI InChI=1S/C29H48N6O11/c1-7-15(4)23(31-16(5)37)27(43)35-20(12-36)26(42)32-17(8-9-22(30)39)24(40)33-18(10-14(2)3)25(41)34-19(28(44)45)11-21(38)29(6)13-46-29/h14-15,17-20,23,36H,7-13H2,1-6H3,(H2,30,39)(H,31,37)(H,32,42)(H,33,40)(H,34,41)(H,35,43)(H,44,45)/t15-,17-,18-,19-,20-,23-,29?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Stanford School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant Taspase 1 assessed as accumulation of emitted fluorescence by FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Threonine aspartase 1


(Homo sapiens)
BDBM50300920
PNG
((S)-2-((S)-2-{(S)-2-[(S)-2-((2S,3S)-2-Acetylamino-...)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C\C=C\S(C)(=O)=O)C(O)=O
Show InChI InChI=1S/C28H48N6O11S/c1-7-16(4)23(30-17(5)36)27(41)34-21(14-35)26(40)31-18(10-11-22(29)37)24(38)33-20(13-15(2)3)25(39)32-19(28(42)43)9-8-12-46(6,44)45/h8,12,15-16,18-21,23,35H,7,9-11,13-14H2,1-6H3,(H2,29,37)(H,30,36)(H,31,40)(H,32,39)(H,33,38)(H,34,41)(H,42,43)/b12-8+/t16-,18-,19-,20-,21-,23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Stanford School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant Taspase 1 assessed as accumulation of emitted fluorescence by FRET assay


Citation and Details
More data for this
Ligand-Target Pair