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BDBM50188240 CHEMBL3827226

SMILES: COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(NC(=O)c1ccc(OC)cc1)C(=O)CN(NC(=O)Nc1ccccc1)C(=O)CN(NC(=O)c1ccc(Cl)cc1)C(=O)CN(NC(=O)Cc1ccccc1)C(=O)Cn1nc(oc1=O)-c1ccc(s1)-c1ccc(Br)cc1

InChI Key: InChIKey=XHGVTFGUIDXZJQ-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50188240   
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))
BDBM50188240
PNG
(CHEMBL3827226)
Show SMILES COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(NC(=O)c1ccc(OC)cc1)C(=O)CN(NC(=O)Nc1ccccc1)C(=O)CN(NC(=O)c1ccc(Cl)cc1)C(=O)CN(NC(=O)Cc1ccccc1)C(=O)Cn1nc(oc1=O)-c1ccc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C69H79BrClN17O16S/c1-102-36-35-83(40-59(92)82(34-12-10-32-73)39-58(91)81(38-56(74)89)33-11-9-31-72)60(93)41-85(77-66(99)49-21-27-53(103-2)28-22-49)62(95)44-87(80-68(100)75-52-15-7-4-8-16-52)63(96)43-86(78-65(98)48-19-25-51(71)26-20-48)61(94)42-84(76-57(90)37-46-13-5-3-6-14-46)64(97)45-88-69(101)104-67(79-88)55-30-29-54(105-55)47-17-23-50(70)24-18-47/h3-8,13-30H,9-12,31-45,72-73H2,1-2H3,(H2,74,89)(H,76,90)(H,77,99)(H,78,98)(H2,75,80,100)
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
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))
BDBM50188240
PNG
(CHEMBL3827226)
Show SMILES COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(NC(=O)c1ccc(OC)cc1)C(=O)CN(NC(=O)Nc1ccccc1)C(=O)CN(NC(=O)c1ccc(Cl)cc1)C(=O)CN(NC(=O)Cc1ccccc1)C(=O)Cn1nc(oc1=O)-c1ccc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C69H79BrClN17O16S/c1-102-36-35-83(40-59(92)82(34-12-10-32-73)39-58(91)81(38-56(74)89)33-11-9-31-72)60(93)41-85(77-66(99)49-21-27-53(103-2)28-22-49)62(95)44-87(80-68(100)75-52-15-7-4-8-16-52)63(96)43-86(78-65(98)48-19-25-51(71)26-20-48)61(94)42-84(76-57(90)37-46-13-5-3-6-14-46)64(97)45-88-69(101)104-67(79-88)55-30-29-54(105-55)47-17-23-50(70)24-18-47/h3-8,13-30H,9-12,31-45,72-73H2,1-2H3,(H2,74,89)(H,76,90)(H,77,99)(H,78,98)(H2,75,80,100)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 6.00E+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