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Compile Data Set for Download or QSAR

Found 3 hits for UniProtKB: Q9WTL7   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acyl-protein thioesterase 2


(Mus musculus)
BDBM50547464
PNG
(CHEMBL4776695)
Show SMILES NC(=O)[C@H](CCCCN=[N+]=[N-])NC(=O)CCCCCNC(=O)CN(Cc1ccccc1)C(=O)C1CCN(CC1)C(=O)n1ccnn1
Show InChI InChI=1S/C30H43N11O5/c31-28(44)25(11-6-8-16-34-37-32)36-26(42)12-5-2-7-15-33-27(43)22-40(21-23-9-3-1-4-10-23)29(45)24-13-18-39(19-14-24)30(46)41-20-17-35-38-41/h1,3-4,9-10,17,20,24-25H,2,5-8,11-16,18-19,21-22H2,(H2,31,44)(H,33,43)(H,36,42)/t25-/m0/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PubMed
n/an/a 12n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of FP-Rh binding to APT-1/2 in mouse brain cytosolic fraction preincubated for 1 hr followed by FP-Rh addition and measured after 1 hr by ...


J Med Chem 63: 11845-11853 (2020)

More data for this
Ligand-Target Pair
Acyl-protein thioesterase 2


(Mus musculus)
BDBM50547465
PNG
(CHEMBL4792406)
Show SMILES NC(=O)[C@H](CCCCN=[N+]=[N-])NC(=O)CCCCCNC(=O)c1ccc(CN2CCN(CC2)C(=O)n2ccnn2)cc1
Show InChI InChI=1S/C27H39N11O4/c28-25(40)23(6-3-5-13-31-34-29)33-24(39)7-2-1-4-12-30-26(41)22-10-8-21(9-11-22)20-36-16-18-37(19-17-36)27(42)38-15-14-32-35-38/h8-11,14-15,23H,1-7,12-13,16-20H2,(H2,28,40)(H,30,41)(H,33,39)/t23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 28n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of FP-Rh binding to APT-1/2 in mouse brain cytosolic fraction preincubated for 1 hr followed by FP-Rh addition and measured after 1 hr by ...


J Med Chem 63: 11845-11853 (2020)

More data for this
Ligand-Target Pair
Acyl-protein thioesterase 1/2


(Mus musculus)
BDBM50547463
PNG
(CHEMBL4778420)
Show SMILES NC(=O)[C@H](CCCCN=[N+]=[N-])NC(=O)CCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)n1ccnn1
Show InChI InChI=1S/C30H43N11O5/c31-27(43)24(11-6-8-16-34-38-32)36-26(42)12-5-2-7-15-33-29(45)25(21-22-9-3-1-4-10-22)37-28(44)23-13-18-40(19-14-23)30(46)41-20-17-35-39-41/h1,3-4,9-10,17,20,23-25H,2,5-8,11-16,18-19,21H2,(H2,31,43)(H,33,45)(H,36,42)(H,37,44)/t24-,25-/m0/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 460n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of FP-Rh binding to APT-1/2 in mouse brain cytosolic fraction preincubated for 1 hr followed by FP-Rh addition and measured after 1 hr by ...


J Med Chem 63: 11845-11853 (2020)

More data for this
Ligand-Target Pair