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BDBM50188238 CHEMBL3827906

SMILES: COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(NC(=O)Nc1ccccc1)C(=O)CN(NC(=O)c1ccc(Cl)cc1)C(=O)Cn1nc(oc1=O)-c1ccc(s1)-c1ccc(Br)cc1

InChI Key: InChIKey=VLCUEJVDJGHEME-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50188238   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50188238
PNG
(CHEMBL3827906)
Show SMILES COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(NC(=O)Nc1ccccc1)C(=O)CN(NC(=O)c1ccc(Cl)cc1)C(=O)Cn1nc(oc1=O)-c1ccc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C49H59BrClN13O11S/c1-74-26-25-61(29-42(67)60(24-8-6-22-53)28-41(66)59(27-40(54)65)23-7-5-21-52)43(68)30-63(58-48(72)55-37-9-3-2-4-10-37)44(69)31-62(56-46(71)34-13-17-36(51)18-14-34)45(70)32-64-49(73)75-47(57-64)39-20-19-38(76-39)33-11-15-35(50)16-12-33/h2-4,9-20H,5-8,21-32,52-53H2,1H3,(H2,54,65)(H,56,71)(H2,55,58,72)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 5.00E+3n/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
Platelet-activating factor acetylhydrolase IB subunit beta


(Homo sapiens (Human))
BDBM50188238
PNG
(CHEMBL3827906)
Show SMILES COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(NC(=O)Nc1ccccc1)C(=O)CN(NC(=O)c1ccc(Cl)cc1)C(=O)Cn1nc(oc1=O)-c1ccc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C49H59BrClN13O11S/c1-74-26-25-61(29-42(67)60(24-8-6-22-53)28-41(66)59(27-40(54)65)23-7-5-21-52)43(68)30-63(58-48(72)55-37-9-3-2-4-10-37)44(69)31-62(56-46(71)34-13-17-36(51)18-14-34)45(70)32-64-49(73)75-47(57-64)39-20-19-38(76-39)33-11-15-35(50)16-12-33/h2-4,9-20H,5-8,21-32,52-53H2,1H3,(H2,54,65)(H,56,71)(H2,55,58,72)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 4.00E+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