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Compile Data Set for Download or QSAR

Found 17 hits of ph data with Target = 'Immunophilin FKBP12'   
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
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23334
PNG
(3-(pyridin-3-yl)propyl (2S)-1-(3,3-dimethyl-2-oxop...)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1
Show InChI InChI=1S/C20H28N2O4/c1-4-20(2,3)17(23)18(24)22-12-6-10-16(22)19(25)26-13-7-9-15-8-5-11-21-14-15/h5,8,11,14,16H,4,6-7,9-10,12-13H2,1-3H3/t16-/m0/s1
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PubMed
7.5 -42.5n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 45: 3558-68 (2002)


Article DOI: 10.1021/jm0200456
BindingDB Entry DOI: 10.7270/Q2GH9G7G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23319
PNG
(3,3-dimethyl-1-[(2S)-2-(5-phenylpentanoyl)pyrrolid...)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCc1ccccc1
Show InChI InChI=1S/C22H31NO3/c1-4-22(2,3)20(25)21(26)23-16-10-14-18(23)19(24)15-9-8-13-17-11-6-5-7-12-17/h5-7,11-12,18H,4,8-10,13-16H2,1-3H3/t18-/m0/s1
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30 -39.3n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 45: 3558-68 (2002)


Article DOI: 10.1021/jm0200456
BindingDB Entry DOI: 10.7270/Q2GH9G7G
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23322
PNG
(3,3-dimethyl-1-[(2S)-2-{5-[2,3,5,6-tetrafluoro-4-(...)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCc1c(F)c(F)c(c(F)c1F)C(F)(F)F
Show InChI InChI=1S/C23H26F7NO3/c1-4-22(2,3)20(33)21(34)31-11-7-9-13(31)14(32)10-6-5-8-12-16(24)18(26)15(23(28,29)30)19(27)17(12)25/h13H,4-11H2,1-3H3/t13-/m0/s1
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130 -36.0n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 45: 3558-68 (2002)


Article DOI: 10.1021/jm0200456
BindingDB Entry DOI: 10.7270/Q2GH9G7G
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23323
PNG
(3,3-dimethyl-1-[(2S)-2-(4-phenylbutanoyl)pyrrolidi...)
Show SMILES CC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCc1ccccc1
Show InChI InChI=1S/C20H27NO3/c1-20(2,3)18(23)19(24)21-14-8-12-16(21)17(22)13-7-11-15-9-5-4-6-10-15/h4-6,9-10,16H,7-8,11-14H2,1-3H3/t16-/m0/s1
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180 -35.3n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 45: 3558-68 (2002)


Article DOI: 10.1021/jm0200456
BindingDB Entry DOI: 10.7270/Q2GH9G7G
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23325
PNG
(3,3-dimethyl-1-[(2S)-2-[5-(pyridin-3-yl)pentanoyl]...)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCc1cccnc1
Show InChI InChI=1S/C21H30N2O3/c1-4-21(2,3)19(25)20(26)23-14-8-11-17(23)18(24)12-6-5-9-16-10-7-13-22-15-16/h7,10,13,15,17H,4-6,8-9,11-12,14H2,1-3H3/t17-/m0/s1
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210 -34.9n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 45: 3558-68 (2002)


Article DOI: 10.1021/jm0200456
BindingDB Entry DOI: 10.7270/Q2GH9G7G
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23324
PNG
(1-[(2S)-2-[5-(4-hydroxyphenyl)pentanoyl]pyrrolidin...)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCc1ccc(O)cc1
Show InChI InChI=1S/C22H31NO4/c1-4-22(2,3)20(26)21(27)23-15-7-9-18(23)19(25)10-6-5-8-16-11-13-17(24)14-12-16/h11-14,18,24H,4-10,15H2,1-3H3/t18-/m0/s1
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240 -34.6n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 45: 3558-68 (2002)


Article DOI: 10.1021/jm0200456
BindingDB Entry DOI: 10.7270/Q2GH9G7G
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23333
PNG
(3,3-dimethyl-1-[(2S)-2-(6-phenylhexanoyl)piperidin...)
Show SMILES CC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCCCc1ccccc1
Show InChI InChI=1S/C23H33NO3/c1-23(2,3)21(26)22(27)24-17-11-10-15-19(24)20(25)16-9-5-8-14-18-12-6-4-7-13-18/h4,6-7,12-13,19H,5,8-11,14-17H2,1-3H3/t19-/m0/s1
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290 -34.2n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 45: 3558-68 (2002)


Article DOI: 10.1021/jm0200456
BindingDB Entry DOI: 10.7270/Q2GH9G7G
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23320
PNG
(1-cyclohexyl-2-[(2S)-2-(5-phenylpentanoyl)pyrrolid...)
Show SMILES O=C(CCCCc1ccccc1)[C@@H]1CCCN1C(=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C23H31NO3/c25-21(16-8-7-12-18-10-3-1-4-11-18)20-15-9-17-24(20)23(27)22(26)19-13-5-2-6-14-19/h1,3-4,10-11,19-20H,2,5-9,12-17H2/t20-/m0/s1
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310 -34.0n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 45: 3558-68 (2002)


Article DOI: 10.1021/jm0200456
BindingDB Entry DOI: 10.7270/Q2GH9G7G
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23326
PNG
(1-[(2S)-2-[5,5-bis(4-fluorophenyl)pentanoyl]pyrrol...)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C28H33F2NO3/c1-4-28(2,3)26(33)27(34)31-18-6-8-24(31)25(32)9-5-7-23(19-10-14-21(29)15-11-19)20-12-16-22(30)17-13-20/h10-17,23-24H,4-9,18H2,1-3H3/t24-/m0/s1
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460 -33.1n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 45: 3558-68 (2002)


Article DOI: 10.1021/jm0200456
BindingDB Entry DOI: 10.7270/Q2GH9G7G
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23330
PNG
(3,3-dimethyl-1-[(2S)-2-(5-phenylpentanoyl)piperidi...)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCCc1ccccc1
Show InChI InChI=1S/C23H33NO3/c1-4-23(2,3)21(26)22(27)24-17-11-10-15-19(24)20(25)16-9-8-14-18-12-6-5-7-13-18/h5-7,12-13,19H,4,8-11,14-17H2,1-3H3/t19-/m0/s1
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790 -31.9n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 45: 3558-68 (2002)


Article DOI: 10.1021/jm0200456
BindingDB Entry DOI: 10.7270/Q2GH9G7G
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23332
PNG
(3,3-dimethyl-1-[(2S)-2-[6-(pyridin-3-yl)hexanoyl]p...)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCCCc1cccnc1
Show InChI InChI=1S/C23H34N2O3/c1-4-23(2,3)21(27)22(28)25-16-9-8-13-19(25)20(26)14-7-5-6-11-18-12-10-15-24-17-18/h10,12,15,17,19H,4-9,11,13-14,16H2,1-3H3/t19-/m0/s1
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900 -31.6n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 45: 3558-68 (2002)


Article DOI: 10.1021/jm0200456
BindingDB Entry DOI: 10.7270/Q2GH9G7G
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23317
PNG
(3,3-dimethyl-1-[(2S)-2-pentanoylpyrrolidin-1-yl]pe...)
Show SMILES CCCCC(=O)[C@@H]1CCCN1C(=O)C(=O)C(C)(C)CC
Show InChI InChI=1S/C16H27NO3/c1-5-7-10-13(18)12-9-8-11-17(12)15(20)14(19)16(3,4)6-2/h12H,5-11H2,1-4H3/t12-/m0/s1
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2.00E+3 -29.8n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 45: 3558-68 (2002)


Article DOI: 10.1021/jm0200456
BindingDB Entry DOI: 10.7270/Q2GH9G7G
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23331
PNG
(3,3-dimethyl-1-[(2S)-2-(6-phenylhexanoyl)piperidin...)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCCCc1ccccc1
Show InChI InChI=1S/C24H35NO3/c1-4-24(2,3)22(27)23(28)25-18-12-11-16-20(25)21(26)17-10-6-9-15-19-13-7-5-8-14-19/h5,7-8,13-14,20H,4,6,9-12,15-18H2,1-3H3/t20-/m0/s1
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3.00E+3 -28.9n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 45: 3558-68 (2002)


Article DOI: 10.1021/jm0200456
BindingDB Entry DOI: 10.7270/Q2GH9G7G
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23328
PNG
(3,3-dimethyl-1-[(2S)-2-pentanoylpiperidin-1-yl]pen...)
Show SMILES CCCCC(=O)[C@@H]1CCCCN1C(=O)C(=O)C(C)(C)CC
Show InChI InChI=1S/C17H29NO3/c1-5-7-11-14(19)13-10-8-9-12-18(13)16(21)15(20)17(3,4)6-2/h13H,5-12H2,1-4H3/t13-/m0/s1
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3.40E+3 -28.6n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 45: 3558-68 (2002)


Article DOI: 10.1021/jm0200456
BindingDB Entry DOI: 10.7270/Q2GH9G7G
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23327
PNG
(3,3-dimethyl-1-[(2S)-2-(6-phenylhexanoyl)pyrrolidi...)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCCc1ccccc1
Show InChI InChI=1S/C23H33NO3/c1-4-23(2,3)21(26)22(27)24-17-11-15-19(24)20(25)16-10-6-9-14-18-12-7-5-8-13-18/h5,7-8,12-13,19H,4,6,9-11,14-17H2,1-3H3/t19-/m0/s1
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3.80E+3 -28.3n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 45: 3558-68 (2002)


Article DOI: 10.1021/jm0200456
BindingDB Entry DOI: 10.7270/Q2GH9G7G
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23321
PNG
(1-phenyl-2-[(2S)-2-(5-phenylpentanoyl)pyrrolidin-1...)
Show SMILES O=C(CCCCc1ccccc1)[C@@H]1CCCN1C(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C23H25NO3/c25-21(16-8-7-12-18-10-3-1-4-11-18)20-15-9-17-24(20)23(27)22(26)19-13-5-2-6-14-19/h1-6,10-11,13-14,20H,7-9,12,15-17H2/t20-/m0/s1
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1.00E+4 -26.1n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 45: 3558-68 (2002)


Article DOI: 10.1021/jm0200456
BindingDB Entry DOI: 10.7270/Q2GH9G7G
More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23329
PNG
(3,3-dimethyl-1-[(2S)-2-(4-phenylbutanoyl)piperidin...)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCc1ccccc1
Show InChI InChI=1S/C22H31NO3/c1-4-22(2,3)20(25)21(26)23-16-9-8-14-18(23)19(24)15-10-13-17-11-6-5-7-12-17/h5-7,11-12,18H,4,8-10,13-16H2,1-3H3/t18-/m0/s1
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1.00E+4 -26.1n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 45: 3558-68 (2002)


Article DOI: 10.1021/jm0200456
BindingDB Entry DOI: 10.7270/Q2GH9G7G
More data for this
Ligand-Target Pair