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Compile Data Set for Download or QSAR

Found 19 hits of ic50 data for polymerid = 50007136   
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))
BDBM50132713
PNG
(Arachidonic acid derivative | CHEMBL113262 | Methy...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCP(F)(=O)OC
Show InChI InChI=1S/C21H36FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
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PC sid
PDB
UniChem
PubMed
n/an/a 72n/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))
BDBM50188244
PNG
(CHEMBL3828405)
Show SMILES COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(NC(=O)Nc1ccc(Br)cc1)C(=O)CN(NC(=O)c1ccc(Cl)cc1)C(=O)Cn1nc(oc1=O)-c1ccc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C49H58Br2ClN13O11S/c1-75-25-24-62(28-42(68)61(23-5-3-21-54)27-41(67)60(26-40(55)66)22-4-2-20-53)43(69)29-64(59-48(73)56-37-16-12-35(51)13-17-37)44(70)30-63(57-46(72)33-8-14-36(52)15-9-33)45(71)31-65-49(74)76-47(58-65)39-19-18-38(77-39)32-6-10-34(50)11-7-32/h6-19H,2-5,20-31,53-54H2,1H3,(H2,55,66)(H,57,72)(H2,56,59,73)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Shiv Nadar University

Curated by ChEMBL


Assay Description
Inhibition of FP-Rh probe binding to recombinant PAFAH1B2 (unknown origin) doped in human HeLa cell lysate incubated for 30 mins followed by FP-Rh pr...


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)
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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))
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)
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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))
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)
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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
Platelet-activating factor acetylhydrolase IB subunit beta


(Homo sapiens (Human))
BDBM50188242
PNG
(CHEMBL3827685)
Show SMILES COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(NC(=O)Nc1ccc(cc1)N(C)C)C(=O)CN(NC(=O)c1ccc(Cl)cc1)C(=O)Cn1nc(oc1=O)-c1ccc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C51H64BrClN14O11S/c1-61(2)39-18-16-38(17-19-39)57-50(75)60-66(31-45(71)64(26-27-77-3)30-44(70)63(25-7-5-23-55)29-43(69)62(28-42(56)68)24-6-4-22-54)46(72)32-65(58-48(74)35-10-14-37(53)15-11-35)47(73)33-67-51(76)78-49(59-67)41-21-20-40(79-41)34-8-12-36(52)13-9-34/h8-21H,4-7,22-33,54-55H2,1-3H3,(H2,56,68)(H,58,74)(H2,57,60,75)
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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
Platelet-activating factor acetylhydrolase IB subunit beta


(Homo sapiens (Human))
BDBM50188243
PNG
(CHEMBL3828611)
Show SMILES NC(=O)Cn1nc(oc1=O)-c1ccc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C14H10BrN3O3S/c15-9-3-1-8(2-4-9)10-5-6-11(22-10)13-17-18(7-12(16)19)14(20)21-13/h1-6H,7H2,(H2,16,19)
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PubMed
n/an/a 5.00E+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))
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)
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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))
BDBM50188244
PNG
(CHEMBL3828405)
Show SMILES COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(NC(=O)Nc1ccc(Br)cc1)C(=O)CN(NC(=O)c1ccc(Cl)cc1)C(=O)Cn1nc(oc1=O)-c1ccc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C49H58Br2ClN13O11S/c1-75-25-24-62(28-42(68)61(23-5-3-21-54)27-41(67)60(26-40(55)66)22-4-2-20-53)43(69)29-64(59-48(73)56-37-16-12-35(51)13-17-37)44(70)30-63(57-46(72)33-8-14-36(52)15-9-33)45(71)31-65-49(74)76-47(58-65)39-19-18-38(77-39)32-6-10-34(50)11-7-32/h6-19H,2-5,20-31,53-54H2,1H3,(H2,55,66)(H,57,72)(H2,56,59,73)
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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))
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)
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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
Platelet-activating factor acetylhydrolase IB subunit beta


(Homo sapiens (Human))
BDBM50188242
PNG
(CHEMBL3827685)
Show SMILES COCCN(CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(N)=O)C(=O)CN(NC(=O)Nc1ccc(cc1)N(C)C)C(=O)CN(NC(=O)c1ccc(Cl)cc1)C(=O)Cn1nc(oc1=O)-c1ccc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C51H64BrClN14O11S/c1-61(2)39-18-16-38(17-19-39)57-50(75)60-66(31-45(71)64(26-27-77-3)30-44(70)63(25-7-5-23-55)29-43(69)62(28-42(56)68)24-6-4-22-54)46(72)32-65(58-48(74)35-10-14-37(53)15-11-35)47(73)33-67-51(76)78-49(59-67)41-21-20-40(79-41)34-8-12-36(52)13-9-34/h8-21H,4-7,22-33,54-55H2,1-3H3,(H2,56,68)(H,58,74)(H2,57,60,75)
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n/an/a 7.00E+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))
BDBM50188237
PNG
(CHEMBL3828744)
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)CCOC)C(=O)CN(C)C(=O)Cn1nc(oc1=O)-c1ccc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C68H84BrClN18O18S/c1-80(56(91)40-88-68(102)106-66(78-88)53-27-26-52(107-53)45-14-20-48(69)21-15-45)37-60(95)84(75-55(90)28-34-103-2)42-61(96)86(77-64(99)46-16-22-49(70)23-17-46)43-63(98)87(79-67(101)74-50-12-6-5-7-13-50)44-62(97)85(76-65(100)47-18-24-51(105-4)25-19-47)41-59(94)83(33-35-104-3)39-58(93)82(32-11-9-30-72)38-57(92)81(36-54(73)89)31-10-8-29-71/h5-7,12-27H,8-11,28-44,71-72H2,1-4H3,(H2,73,89)(H,75,90)(H,76,100)(H,77,99)(H2,74,79,101)
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n/an/a 1.00E+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)
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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))
BDBM50188241
PNG
(CHEMBL3828121)
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)CNNC(=O)c1ccc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C48H61BrClN13O10S/c1-73-26-25-61(30-43(67)60(24-8-6-22-52)29-42(66)59(28-40(53)64)23-7-5-21-51)44(68)31-63(58-48(72)55-37-9-3-2-4-10-37)45(69)32-62(57-46(70)34-13-17-36(50)18-14-34)41(65)27-54-56-47(71)39-20-19-38(74-39)33-11-15-35(49)16-12-33/h2-4,9-20,54H,5-8,21-32,51-52H2,1H3,(H2,53,64)(H,56,71)(H,57,70)(H2,55,58,72)
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n/an/a 3.40E+4n/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))
BDBM50188241
PNG
(CHEMBL3828121)
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)CNNC(=O)c1ccc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C48H61BrClN13O10S/c1-73-26-25-61(30-43(67)60(24-8-6-22-52)29-42(66)59(28-40(53)64)23-7-5-21-51)44(68)31-63(58-48(72)55-37-9-3-2-4-10-37)45(69)32-62(57-46(70)34-13-17-36(50)18-14-34)41(65)27-54-56-47(71)39-20-19-38(74-39)33-11-15-35(49)16-12-33/h2-4,9-20,54H,5-8,21-32,51-52H2,1H3,(H2,53,64)(H,56,71)(H,57,70)(H2,55,58,72)
UniProtKB/TrEMBL

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UniChem
PubMed
n/an/a 3.80E+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))
BDBM50188243
PNG
(CHEMBL3828611)
Show SMILES NC(=O)Cn1nc(oc1=O)-c1ccc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C14H10BrN3O3S/c15-9-3-1-8(2-4-9)10-5-6-11(22-10)13-17-18(7-12(16)19)14(20)21-13/h1-6H,7H2,(H2,16,19)
UniProtKB/TrEMBL

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UniChem
PubMed
n/an/a 6.00E+4n/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))
BDBM50188237
PNG
(CHEMBL3828744)
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)CCOC)C(=O)CN(C)C(=O)Cn1nc(oc1=O)-c1ccc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C68H84BrClN18O18S/c1-80(56(91)40-88-68(102)106-66(78-88)53-27-26-52(107-53)45-14-20-48(69)21-15-45)37-60(95)84(75-55(90)28-34-103-2)42-61(96)86(77-64(99)46-16-22-49(70)23-17-46)43-63(98)87(79-67(101)74-50-12-6-5-7-13-50)44-62(97)85(76-65(100)47-18-24-51(105-4)25-19-47)41-59(94)83(33-35-104-3)39-58(93)82(32-11-9-30-72)38-57(92)81(36-54(73)89)31-10-8-29-71/h5-7,12-27H,8-11,28-44,71-72H2,1-4H3,(H2,73,89)(H,75,90)(H,76,100)(H,77,99)(H2,74,79,101)
UniProtKB/TrEMBL

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UniChem
PubMed
n/an/a 6.30E+4n/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))
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)
UniProtKB/TrEMBL

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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
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)
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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