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Compile Data Set for Download or QSAR

Found 11 hits of ic50 for UniProtKB: P02768   
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
Serum albumin


(Homo sapiens (Human))
BDBM50118508
PNG
(CHEMBL264831 | FMS3-gentamicin C1)
Show SMILES CNC(C)[C@H]1CCC(NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)[C@@H](O[C@@H]2C(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccc(cc34)S(O)(=O)=O)C(O[C@H]3OC[C@](C)(O)C(NC)[C@@H]3O)[C@@H]2O)NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)O1
Show InChI InChI=1S/C66H73N5O22S3/c1-33(67-3)55-24-23-52(69-63(74)87-29-49-40-14-8-5-11-37(40)43-20-17-34(25-46(43)49)94(78,79)80)61(91-55)92-58-53(70-64(75)88-30-50-41-15-9-6-12-38(41)44-21-18-35(26-47(44)50)95(81,82)83)28-54(59(56(58)72)93-62-57(73)60(68-4)66(2,77)32-90-62)71-65(76)89-31-51-42-16-10-7-13-39(42)45-22-19-36(27-48(45)51)96(84,85)86/h5-22,25-27,33,49-62,67-68,72-73,77H,23-24,28-32H2,1-4H3,(H,69,74)(H,70,75)(H,71,76)(H,78,79,80)(H,81,82,83)(H,84,85,86)/t33?,49?,50?,51?,52?,53?,54-,55-,56-,57+,58-,59?,60?,61-,62-,66+/m1/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Evaluated for inhibition of Serum albumin evoked PNPA hydrolysis in presence of 3.0 M of FMS


J Med Chem 45: 4264-70 (2002)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens (Human))
BDBM50118508
PNG
(CHEMBL264831 | FMS3-gentamicin C1)
Show SMILES CNC(C)[C@H]1CCC(NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)[C@@H](O[C@@H]2C(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccc(cc34)S(O)(=O)=O)C(O[C@H]3OC[C@](C)(O)C(NC)[C@@H]3O)[C@@H]2O)NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)O1
Show InChI InChI=1S/C66H73N5O22S3/c1-33(67-3)55-24-23-52(69-63(74)87-29-49-40-14-8-5-11-37(40)43-20-17-34(25-46(43)49)94(78,79)80)61(91-55)92-58-53(70-64(75)88-30-50-41-15-9-6-12-38(41)44-21-18-35(26-47(44)50)95(81,82)83)28-54(59(56(58)72)93-62-57(73)60(68-4)66(2,77)32-90-62)71-65(76)89-31-51-42-16-10-7-13-39(42)45-22-19-36(27-48(45)51)96(84,85)86/h5-22,25-27,33,49-62,67-68,72-73,77H,23-24,28-32H2,1-4H3,(H,69,74)(H,70,75)(H,71,76)(H,78,79,80)(H,81,82,83)(H,84,85,86)/t33?,49?,50?,51?,52?,53?,54-,55-,56-,57+,58-,59?,60?,61-,62-,66+/m1/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Evaluated for inhibition of Serum albumin evoked PNPA hydrolysis in presence of 2.1 M of FMS


J Med Chem 45: 4264-70 (2002)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens (Human))
BDBM50118508
PNG
(CHEMBL264831 | FMS3-gentamicin C1)
Show SMILES CNC(C)[C@H]1CCC(NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)[C@@H](O[C@@H]2C(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccc(cc34)S(O)(=O)=O)C(O[C@H]3OC[C@](C)(O)C(NC)[C@@H]3O)[C@@H]2O)NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)O1
Show InChI InChI=1S/C66H73N5O22S3/c1-33(67-3)55-24-23-52(69-63(74)87-29-49-40-14-8-5-11-37(40)43-20-17-34(25-46(43)49)94(78,79)80)61(91-55)92-58-53(70-64(75)88-30-50-41-15-9-6-12-38(41)44-21-18-35(26-47(44)50)95(81,82)83)28-54(59(56(58)72)93-62-57(73)60(68-4)66(2,77)32-90-62)71-65(76)89-31-51-42-16-10-7-13-39(42)45-22-19-36(27-48(45)51)96(84,85)86/h5-22,25-27,33,49-62,67-68,72-73,77H,23-24,28-32H2,1-4H3,(H,69,74)(H,70,75)(H,71,76)(H,78,79,80)(H,81,82,83)(H,84,85,86)/t33?,49?,50?,51?,52?,53?,54-,55-,56-,57+,58-,59?,60?,61-,62-,66+/m1/s1
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n/an/a 4.30E+4n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Evaluated for inhibition of Serum albumin evoked PNPA hydrolysis in presence of 1.3 M of FMS


J Med Chem 45: 4264-70 (2002)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens (Human))
BDBM50118508
PNG
(CHEMBL264831 | FMS3-gentamicin C1)
Show SMILES CNC(C)[C@H]1CCC(NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)[C@@H](O[C@@H]2C(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccc(cc34)S(O)(=O)=O)C(O[C@H]3OC[C@](C)(O)C(NC)[C@@H]3O)[C@@H]2O)NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)O1
Show InChI InChI=1S/C66H73N5O22S3/c1-33(67-3)55-24-23-52(69-63(74)87-29-49-40-14-8-5-11-37(40)43-20-17-34(25-46(43)49)94(78,79)80)61(91-55)92-58-53(70-64(75)88-30-50-41-15-9-6-12-38(41)44-21-18-35(26-47(44)50)95(81,82)83)28-54(59(56(58)72)93-62-57(73)60(68-4)66(2,77)32-90-62)71-65(76)89-31-51-42-16-10-7-13-39(42)45-22-19-36(27-48(45)51)96(84,85)86/h5-22,25-27,33,49-62,67-68,72-73,77H,23-24,28-32H2,1-4H3,(H,69,74)(H,70,75)(H,71,76)(H,78,79,80)(H,81,82,83)(H,84,85,86)/t33?,49?,50?,51?,52?,53?,54-,55-,56-,57+,58-,59?,60?,61-,62-,66+/m1/s1
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n/an/a 8.00E+4n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Evaluated for inhibition of Serum albumin evoked PNPA hydrolysis in presence of 0.7 M of FMS


J Med Chem 45: 4264-70 (2002)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens (Human))
BDBM50112213
PNG
(1-Azido-2-bromo-2-chloro-1,1-difluoro-ethane | CHE...)
Show SMILES FC(F)(N=[N+]=[N-])C(Cl)Br
Show InChI InChI=1S/C2HBrClF2N3/c3-1(4)2(5,6)8-9-7/h1H
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n/an/a 3.00E+5n/an/an/an/an/an/a



University of Pennsylvania Health System

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound bound to tryptophan containing region of Serum albumin in fluorescence quenching


J Med Chem 45: 1879-86 (2002)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens (Human))
BDBM50112209
PNG
(3-Bromo-3-trifluoromethyl-3H-diazirine | CHEMBL298...)
Show InChI InChI=1S/C2BrF3N2/c3-1(7-8-1)2(4,5)6
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n/an/a 4.00E+5n/an/an/an/an/an/a



University of Pennsylvania Health System

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound bound to tryptophan containing region of Serum albumin in fluorescence quenching


J Med Chem 45: 1879-86 (2002)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens (Human))
BDBM50112214
PNG
(3-Bromo-3-(2-chloro-1,1,2-trifluoro-ethyl)-3H-diaz...)
Show InChI InChI=1S/C3HBrClF3N2/c4-3(9-10-3)2(7,8)1(5)6/h1H
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n/an/a 7.00E+5n/an/an/an/an/an/a



University of Pennsylvania Health System

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound bound to tryptophan containing region of Serum albumin in fluorescence quenching


J Med Chem 45: 1879-86 (2002)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens (Human))
BDBM50112210
PNG
(3-(2-Bromo-2-chloro-1,1-difluoro-ethyl)-3H-diaziri...)
Show InChI InChI=1S/C3H2BrClF2N2/c4-1(5)3(6,7)2-8-9-2/h1-2H
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n/an/a 8.00E+5n/an/an/an/an/an/a



University of Pennsylvania Health System

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound bound to tryptophan containing region of Serum albumin in fluorescence quenching


J Med Chem 45: 1879-86 (2002)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens (Human))
BDBM50112215
PNG
(2-Diazo-1,1,1-trifluoro-ethane | CHEMBL54683)
Show SMILES FC(F)(F)[CH-][N+]#N
Show InChI InChI=1S/C2HF3N2/c3-2(4,5)1-7-6/h1H
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n/an/a 1.20E+6n/an/an/an/an/an/a



University of Pennsylvania Health System

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound bound to tryptophan containing region of Serum albumin in fluorescence quenching


J Med Chem 45: 1879-86 (2002)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens (Human))
BDBM50112211
PNG
(3-(2-Chloro-1,1,2-trifluoro-ethyl)-3-fluoro-3H-dia...)
Show InChI InChI=1S/C3HClF4N2/c4-1(5)2(6,7)3(8)9-10-3/h1H
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n/an/a 2.20E+6n/an/an/an/an/an/a



University of Pennsylvania Health System

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound bound to tryptophan containing region of Serum albumin in fluorescence quenching


J Med Chem 45: 1879-86 (2002)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens (Human))
BDBM50112212
PNG
(1,1,1-trifluoro-2-bromo-2-chloroethane | 1,1,1-tri...)
Show SMILES FC(F)(F)C(Cl)Br
Show InChI InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H
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n/an/a 2.90E+6n/an/an/an/an/an/a



University of Pennsylvania Health System

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound bound to tryptophan containing region of Serum albumin in fluorescence quenching


J Med Chem 45: 1879-86 (2002)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)