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Compile Data Set for Download or QSAR

Found 4 hits of affinity data for UniProtKB/TrEMBL: Q8BH82   
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
N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D


(Mus musculus)
BDBM50557063
PNG
(CHEMBL4761882)
Show SMILES O[C@@H]1CCN(C1)c1cc(nc(n1)N1CCC[C@H](C1)c1ccccc1)C(=O)NCC1CC1
Show InChI InChI=1S/C24H31N5O2/c30-20-10-12-28(16-20)22-13-21(23(31)25-14-17-8-9-17)26-24(27-22)29-11-4-7-19(15-29)18-5-2-1-3-6-18/h1-3,5-6,13,17,19-20,30H,4,7-12,14-16H2,(H,25,31)/t19-,20-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 380n/an/an/an/an/an/a



Leiden University and Oncode Institute

Curated by ChEMBL


Assay Description
Inhibition of full length mouse NAPE-PLD expressed in HEK293T cell lysate using PED6 as substrate preincubated for 30 mins followed by substrate addi...


J Med Chem 64: 481-515 (2021)

More data for this
Ligand-Target Pair
N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D


(Mus musculus)
BDBM50557059
PNG
(CHEMBL4782800)
Show SMILES CN(C)c1cc(nc(n1)N1CCC[C@H](C1)c1ccccc1)C(=O)NCC1CC1
Show InChI InChI=1S/C22H29N5O/c1-26(2)20-13-19(21(28)23-14-16-10-11-16)24-22(25-20)27-12-6-9-18(15-27)17-7-4-3-5-8-17/h3-5,7-8,13,16,18H,6,9-12,14-15H2,1-2H3,(H,23,28)/t18-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 389n/an/an/an/an/an/a



Leiden University and Oncode Institute

Curated by ChEMBL


Assay Description
Inhibition of full length mouse NAPE-PLD expressed in HEK293T cell lysate using PED6 as substrate preincubated for 30 mins followed by substrate addi...


J Med Chem 64: 481-515 (2021)

More data for this
Ligand-Target Pair
N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D


(Mus musculus)
BDBM50557066
PNG
(CHEMBL4794048)
Show SMILES O[C@H]1CCN(C1)c1cc(nc(n1)N1CCC[C@H](C1)c1ccccc1)C(=O)NCC1CC1
Show InChI InChI=1S/C24H31N5O2/c30-20-10-12-28(16-20)22-13-21(23(31)25-14-17-8-9-17)26-24(27-22)29-11-4-7-19(15-29)18-5-2-1-3-6-18/h1-3,5-6,13,17,19-20,30H,4,7-12,14-16H2,(H,25,31)/t19-,20+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/a 447n/an/an/an/an/an/a



Leiden University and Oncode Institute

Curated by ChEMBL


Assay Description
Inhibition of full length mouse NAPE-PLD expressed in HEK293T cell lysate using PED6 as substrate preincubated for 30 mins followed by substrate addi...


J Med Chem 64: 481-515 (2021)

More data for this
Ligand-Target Pair
N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D


(Mus musculus)
BDBM50557061
PNG
(CHEMBL4754918)
Show SMILES O=C(NCC1CC1)c1cc(nc(n1)N1CCC[C@H](C1)c1ccccc1)N1CCOCC1
Show InChI InChI=1S/C24H31N5O2/c30-23(25-16-18-8-9-18)21-15-22(28-11-13-31-14-12-28)27-24(26-21)29-10-4-7-20(17-29)19-5-2-1-3-6-19/h1-3,5-6,15,18,20H,4,7-14,16-17H2,(H,25,30)/t20-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 575n/an/an/an/an/an/a



Leiden University and Oncode Institute

Curated by ChEMBL


Assay Description
Inhibition of full length mouse NAPE-PLD expressed in HEK293T cell lysate using PED6 as substrate preincubated for 30 mins followed by substrate addi...


J Med Chem 64: 481-515 (2021)

More data for this
Ligand-Target Pair