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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Platelet-activating factor acetylhydrolase IB subunit beta' and Ligand = 'BDBM50188239'   
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
Platelet-activating factor acetylhydrolase IB subunit beta


(Homo sapiens (Human))
BDBM50188239
PNG
(CHEMBL3827161)
Show SMILES COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(Cc1ccc2OCOc2c1)C(=O)CN(NC(=O)Nc1ccccc1)C(=O)CN(NC(=O)c1ccc(Cl)cc1)C(=O)CN(NC(=O)CCOC)C(=O)Cn1nc(oc1=O)-c1ccc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C65H78BrClN16O17S/c1-96-30-24-54(85)72-80(61(92)41-83-65(95)100-63(74-83)52-23-22-51(101-52)44-13-17-46(66)18-14-44)39-59(90)81(73-62(93)45-15-19-47(67)20-16-45)40-60(91)82(75-64(94)71-48-10-4-3-5-11-48)38-58(89)79(33-43-12-21-49-50(32-43)99-42-98-49)37-57(88)78(29-31-97-2)36-56(87)77(28-9-7-26-69)35-55(86)76(34-53(70)84)27-8-6-25-68/h3-5,10-23,32H,6-9,24-31,33-42,68-69H2,1-2H3,(H2,70,84)(H,72,85)(H,73,93)(H2,71,75,94)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Shiv Nadar University

Curated by ChEMBL


Assay Description
Time-dependent inhibition of PAFAH1B2 (unknown origin) using 2-thiol-PAF as substrate by Ellman's assay


Bioorg Med Chem 24: 3953-3963 (2016)

More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit beta


(Homo sapiens (Human))
BDBM50188239
PNG
(CHEMBL3827161)
Show SMILES COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(Cc1ccc2OCOc2c1)C(=O)CN(NC(=O)Nc1ccccc1)C(=O)CN(NC(=O)c1ccc(Cl)cc1)C(=O)CN(NC(=O)CCOC)C(=O)Cn1nc(oc1=O)-c1ccc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C65H78BrClN16O17S/c1-96-30-24-54(85)72-80(61(92)41-83-65(95)100-63(74-83)52-23-22-51(101-52)44-13-17-46(66)18-14-44)39-59(90)81(73-62(93)45-15-19-47(67)20-16-45)40-60(91)82(75-64(94)71-48-10-4-3-5-11-48)38-58(89)79(33-43-12-21-49-50(32-43)99-42-98-49)37-57(88)78(29-31-97-2)36-56(87)77(28-9-7-26-69)35-55(86)76(34-53(70)84)27-8-6-25-68/h3-5,10-23,32H,6-9,24-31,33-42,68-69H2,1-2H3,(H2,70,84)(H,72,85)(H,73,93)(H2,71,75,94)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 1.06E+5n/an/an/an/an/an/a



Shiv Nadar University

Curated by ChEMBL


Assay Description
Inhibition of PAFAH1B2 (unknown origin) using 2-thiol-PAF as substrate by Ellman's assay


Bioorg Med Chem 24: 3953-3963 (2016)

More data for this
Ligand-Target Pair