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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 = 'BDBM50188236'   
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))
BDBM50188236
PNG
(CHEMBL3827742)
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)CN(C)C(=O)Cn1nc(oc1=O)-c1ccc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C68H83BrClN17O18S/c1-79(57(90)40-87-68(100)105-66(77-87)54-24-23-53(106-54)46-14-18-48(69)19-15-46)36-62(95)84(75-56(89)25-31-101-2)42-63(96)85(76-65(98)47-16-20-49(70)21-17-47)43-64(97)86(78-67(99)74-50-11-5-4-6-12-50)41-61(94)83(34-45-13-22-51-52(33-45)104-44-103-51)39-60(93)82(30-32-102-3)38-59(92)81(29-10-8-27-72)37-58(91)80(35-55(73)88)28-9-7-26-71/h4-6,11-24,33H,7-10,25-32,34-44,71-72H2,1-3H3,(H2,73,88)(H,75,89)(H,76,98)(H2,74,78,99)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.60E+4n/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))
BDBM50188236
PNG
(CHEMBL3827742)
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)CN(C)C(=O)Cn1nc(oc1=O)-c1ccc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C68H83BrClN17O18S/c1-79(57(90)40-87-68(100)105-66(77-87)54-24-23-53(106-54)46-14-18-48(69)19-15-46)36-62(95)84(75-56(89)25-31-101-2)42-63(96)85(76-65(98)47-16-20-49(70)21-17-47)43-64(97)86(78-67(99)74-50-11-5-4-6-12-50)41-61(94)83(34-45-13-22-51-52(33-45)104-44-103-51)39-60(93)82(30-32-102-3)38-59(92)81(29-10-8-27-72)37-58(91)80(35-55(73)88)28-9-7-26-71/h4-6,11-24,33H,7-10,25-32,34-44,71-72H2,1-3H3,(H2,73,88)(H,75,89)(H,76,98)(H2,74,78,99)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.61E+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