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PubMed code 12190314

Compile data set for download or QSAR
Found 15 hits of Enzyme Inhibition Constant Data   
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
Peptidyl-prolyl cis-trans isomerase FKBP4


(Homo sapiens (Human))		BDBM50118067
PNG
(CHEMBL126888 | N-{1-[(Ethoxy-{2-[1-(4-nitro-phenyl...)
Show SMILES CCOP(=O)(CNC(=O)[C@H](C)NC(=O)CCC(O)=O)N1CCCC1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C30H39N6O10P/c1-3-46-47(45,19-31-28(40)20(2)32-26(37)15-16-27(38)39)35-17-7-10-25(35)30(42)34-24(18-21-8-5-4-6-9-21)29(41)33-22-11-13-23(14-12-22)36(43)44/h4-6,8-9,11-14,20,24-25H,3,7,10,15-19H2,1-2H3,(H,31,40)(H,32,37)(H,33,41)(H,34,42)(H,38,39)/t20-,24-,25?,47?/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



D�partement d'Ing�nierie et d'Etudes des Prot�ines

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Cyclophilin hCyp-18 Peptidyl-prolyl isomerase by using the standard trypsin-coupled PPIase (peptidyl-prolyl isomera...

J Med Chem 45: 3928-33 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ37WC
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP4


(Homo sapiens (Human))		BDBM50118067
PNG
(CHEMBL126888 | N-{1-[(Ethoxy-{2-[1-(4-nitro-phenyl...)
Show SMILES CCOP(=O)(CNC(=O)[C@H](C)NC(=O)CCC(O)=O)N1CCCC1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C30H39N6O10P/c1-3-46-47(45,19-31-28(40)20(2)32-26(37)15-16-27(38)39)35-17-7-10-25(35)30(42)34-24(18-21-8-5-4-6-9-21)29(41)33-22-11-13-23(14-12-22)36(43)44/h4-6,8-9,11-14,20,24-25H,3,7,10,15-19H2,1-2H3,(H,31,40)(H,32,37)(H,33,41)(H,34,42)(H,38,39)/t20-,24-,25?,47?/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



D�partement d'Ing�nierie et d'Etudes des Prot�ines

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Cyclophilin hCyp-18 Peptidyl-prolyl isomerase by using the standard trypsin-coupled PPIase (peptidyl-prolyl isomera...

J Med Chem 45: 3928-33 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ37WC
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP4


(Homo sapiens (Human))		BDBM50118069
PNG
(1-[3-(2-Acetylamino-propionylamino)-2-oxo-propiony...)
Show SMILES C[C@H](NC(C)=O)C(=O)NCC(=O)C(=O)N1CCCC1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C28H32N6O8/c1-17(30-18(2)35)25(37)29-16-24(36)28(40)33-14-6-9-23(33)27(39)32-22(15-19-7-4-3-5-8-19)26(38)31-20-10-12-21(13-11-20)34(41)42/h3-5,7-8,10-13,17,22-23H,6,9,14-16H2,1-2H3,(H,29,37)(H,30,35)(H,31,38)(H,32,39)/t17-,22-,23?/m0/s1
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n/an/a 2.15E+5n/an/an/an/an/an/a



D�partement d'Ing�nierie et d'Etudes des Prot�ines

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Cyclophilin hCyp-18 Peptidyl-prolyl isomerase by using the standard trypsin-coupled PPIase (peptidyl-prolyl isomera...

J Med Chem 45: 3928-33 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ37WC
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP4


(Homo sapiens (Human))		BDBM50087877
PNG
(CHEMBL298712 | N-[1-(1-Methyl-2-{2-[1-(4-nitro-phe...)
Show SMILES C[C@H](NC(=O)CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C30H36N6O9/c1-18(31-25(37)14-15-26(38)39)27(40)32-19(2)30(43)35-16-6-9-24(35)29(42)34-23(17-20-7-4-3-5-8-20)28(41)33-21-10-12-22(13-11-21)36(44)45/h3-5,7-8,10-13,18-19,23-24H,6,9,14-17H2,1-2H3,(H,31,37)(H,32,40)(H,33,41)(H,34,42)(H,38,39)/t18-,19-,23-,24-/m0/s1
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n/an/a 5.40E+5n/an/an/an/an/an/a



D�partement d'Ing�nierie et d'Etudes des Prot�ines

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Cyclophilin hCyp-18 Peptidyl-prolyl isomerase by using the standard trypsin-coupled PPIase (peptidyl-prolyl isomera...

J Med Chem 45: 3928-33 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ37WC
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP4


(Homo sapiens (Human))		BDBM50118068
PNG
(1-[2-(2-Acetylamino-propionylamino)-propionyl]-pyr...)
Show SMILES C[C@H](NC(C)=O)C(=O)N[C@H](C)C(=O)N1CCCC1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C28H34N6O7/c1-17(29-19(3)35)25(36)30-18(2)28(39)33-15-7-10-24(33)27(38)32-23(16-20-8-5-4-6-9-20)26(37)31-21-11-13-22(14-12-21)34(40)41/h4-6,8-9,11-14,17-18,23-24H,7,10,15-16H2,1-3H3,(H,29,35)(H,30,36)(H,31,37)(H,32,38)/t17-,18+,23-,24?/m0/s1
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n/an/a 6.40E+5n/an/an/an/an/an/a



D�partement d'Ing�nierie et d'Etudes des Prot�ines

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Cyclophilin hCyp-18 Peptidyl-prolyl isomerase by using the standard trypsin-coupled PPIase (peptidyl-prolyl isomera...

J Med Chem 45: 3928-33 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ37WC
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP4


(Homo sapiens (Human))		BDBM50118071
PNG
(CHEMBL125967 | N-[1-(2-{2-[1-(4-Nitro-phenylcarbam...)
Show SMILES C[C@H](NC(=O)CCC(O)=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C29H34N6O9/c1-18(31-24(36)13-14-26(38)39)27(40)30-17-25(37)34-15-5-8-23(34)29(42)33-22(16-19-6-3-2-4-7-19)28(41)32-20-9-11-21(12-10-20)35(43)44/h2-4,6-7,9-12,18,22-23H,5,8,13-17H2,1H3,(H,30,40)(H,31,36)(H,32,41)(H,33,42)(H,38,39)/t18-,22-,23-/m0/s1
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n/an/a 1.45E+6n/an/an/an/an/an/a



D�partement d'Ing�nierie et d'Etudes des Prot�ines

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Cyclophilin hCyp-18 Peptidyl-prolyl isomerase by using the standard trypsin-coupled PPIase (peptidyl-prolyl isomera...

J Med Chem 45: 3928-33 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ37WC
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP4


(Homo sapiens (Human))		BDBM50118067
PNG
(CHEMBL126888 | N-{1-[(Ethoxy-{2-[1-(4-nitro-phenyl...)
Show SMILES CCOP(=O)(CNC(=O)[C@H](C)NC(=O)CCC(O)=O)N1CCCC1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C30H39N6O10P/c1-3-46-47(45,19-31-28(40)20(2)32-26(37)15-16-27(38)39)35-17-7-10-25(35)30(42)34-24(18-21-8-5-4-6-9-21)29(41)33-22-11-13-23(14-12-22)36(43)44/h4-6,8-9,11-14,20,24-25H,3,7,10,15-19H2,1-2H3,(H,31,40)(H,32,37)(H,33,41)(H,34,42)(H,38,39)/t20-,24-,25?,47?/m0/s1
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n/an/an/a 2.00E+4n/an/an/an/an/a



D�partement d'Ing�nierie et d'Etudes des Prot�ines

Curated by ChEMBL


Assay Description
The compound was evaluated for its binding affinity against Human Cyclophilin hCyp-18 Peptidyl-prolyl isomerase

J Med Chem 45: 3928-33 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ37WC
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP4


(Homo sapiens (Human))		BDBM50118072
PNG
(CHEMBL126876 | [(2-Acetylamino-propionylamino)-met...)
Show SMILES CCOP(=O)(CNC(=O)[C@H](C)NC(C)=O)N1CCCC1C(=O)N[C@H](CNc1ccc(cc1)[N+]([O-])=O)Cc1ccccc1
Show InChI InChI=1S/C28H39N6O7P/c1-4-41-42(40,19-30-27(36)20(2)31-21(3)35)33-16-8-11-26(33)28(37)32-24(17-22-9-6-5-7-10-22)18-29-23-12-14-25(15-13-23)34(38)39/h5-7,9-10,12-15,20,24,26,29H,4,8,11,16-19H2,1-3H3,(H,30,36)(H,31,35)(H,32,37)/t20-,24-,26?,42?/m0/s1
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n/an/an/a 2.00E+5n/an/an/an/an/a



D�partement d'Ing�nierie et d'Etudes des Prot�ines

Curated by ChEMBL


Assay Description
The compound was evaluated for its binding affinity against Human Cyclophilin hCyp-18 Peptidyl-prolyl isomerase

J Med Chem 45: 3928-33 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ37WC
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP4


(Homo sapiens (Human))		BDBM50118069
PNG
(1-[3-(2-Acetylamino-propionylamino)-2-oxo-propiony...)
Show SMILES C[C@H](NC(C)=O)C(=O)NCC(=O)C(=O)N1CCCC1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C28H32N6O8/c1-17(30-18(2)35)25(37)29-16-24(36)28(40)33-14-6-9-23(33)27(39)32-22(15-19-7-4-3-5-8-19)26(38)31-20-10-12-21(13-11-20)34(41)42/h3-5,7-8,10-13,17,22-23H,6,9,14-16H2,1-2H3,(H,29,37)(H,30,35)(H,31,38)(H,32,39)/t17-,22-,23?/m0/s1
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n/an/an/a 1.27E+5n/an/an/an/an/a



D�partement d'Ing�nierie et d'Etudes des Prot�ines

Curated by ChEMBL


Assay Description
The compound was evaluated for its binding affinity against Human Cyclophilin hCyp-18 Peptidyl-prolyl isomerase

J Med Chem 45: 3928-33 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ37WC
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP4


(Homo sapiens (Human))		BDBM50118072
PNG
(CHEMBL126876 | [(2-Acetylamino-propionylamino)-met...)
Show SMILES CCOP(=O)(CNC(=O)[C@H](C)NC(C)=O)N1CCCC1C(=O)N[C@H](CNc1ccc(cc1)[N+]([O-])=O)Cc1ccccc1
Show InChI InChI=1S/C28H39N6O7P/c1-4-41-42(40,19-30-27(36)20(2)31-21(3)35)33-16-8-11-26(33)28(37)32-24(17-22-9-6-5-7-10-22)18-29-23-12-14-25(15-13-23)34(38)39/h5-7,9-10,12-15,20,24,26,29H,4,8,11,16-19H2,1-3H3,(H,30,36)(H,31,35)(H,32,37)/t20-,24-,26?,42?/m0/s1
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n/an/an/a 2.00E+5n/an/an/an/an/a



D�partement d'Ing�nierie et d'Etudes des Prot�ines

Curated by ChEMBL


Assay Description
The compound was evaluated for its binding affinity against Human Cyclophilin hCyp-18 Peptidyl-prolyl isomerase

J Med Chem 45: 3928-33 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ37WC
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP4


(Homo sapiens (Human))		BDBM50118066
PNG
([(2-Acetylamino-propionylamino)-methyl]-{2-[1-(4-m...)
Show SMILES COC(=O)Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCCN2P([O-])(=O)CNC(=O)[C@H](C)NC(C)=O)cc1
Show InChI InChI=1S/C29H38N5O8P/c1-19(31-20(2)35)27(37)30-18-43(40,41)34-15-7-10-25(34)29(39)33-24(16-21-8-5-4-6-9-21)28(38)32-23-13-11-22(12-14-23)17-26(36)42-3/h4-6,8-9,11-14,19,24-25H,7,10,15-18H2,1-3H3,(H,30,37)(H,31,35)(H,32,38)(H,33,39)(H,40,41)/p-1/t19-,24-,25?/m0/s1
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n/an/an/a 7.90E+4n/an/an/an/an/a



D�partement d'Ing�nierie et d'Etudes des Prot�ines

Curated by ChEMBL


Assay Description
The compound was evaluated for its binding affinity against Human Cyclophilin hCyp-18 Peptidyl-prolyl isomerase

J Med Chem 45: 3928-33 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ37WC
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP4


(Homo sapiens (Human))		BDBM50118067
PNG
(CHEMBL126888 | N-{1-[(Ethoxy-{2-[1-(4-nitro-phenyl...)
Show SMILES CCOP(=O)(CNC(=O)[C@H](C)NC(=O)CCC(O)=O)N1CCCC1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C30H39N6O10P/c1-3-46-47(45,19-31-28(40)20(2)32-26(37)15-16-27(38)39)35-17-7-10-25(35)30(42)34-24(18-21-8-5-4-6-9-21)29(41)33-22-11-13-23(14-12-22)36(43)44/h4-6,8-9,11-14,20,24-25H,3,7,10,15-19H2,1-2H3,(H,31,40)(H,32,37)(H,33,41)(H,34,42)(H,38,39)/t20-,24-,25?,47?/m0/s1
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n/an/an/a 2.00E+4n/an/an/an/an/a



D�partement d'Ing�nierie et d'Etudes des Prot�ines

Curated by ChEMBL


Assay Description
The compound was evaluated for its binding affinity against Human Cyclophilin hCyp-18 Peptidyl-prolyl isomerase

J Med Chem 45: 3928-33 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ37WC
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP4


(Homo sapiens (Human))		BDBM50087877
PNG
(CHEMBL298712 | N-[1-(1-Methyl-2-{2-[1-(4-nitro-phe...)
Show SMILES C[C@H](NC(=O)CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C30H36N6O9/c1-18(31-25(37)14-15-26(38)39)27(40)32-19(2)30(43)35-16-6-9-24(35)29(42)34-23(17-20-7-4-3-5-8-20)28(41)33-21-10-12-22(13-11-21)36(44)45/h3-5,7-8,10-13,18-19,23-24H,6,9,14-17H2,1-2H3,(H,31,37)(H,32,40)(H,33,41)(H,34,42)(H,38,39)/t18-,19-,23-,24-/m0/s1
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n/an/an/a 1.35E+5n/an/an/an/an/a



D�partement d'Ing�nierie et d'Etudes des Prot�ines

Curated by ChEMBL


Assay Description
The compound was evaluated for its binding affinity against Human Cyclophilin hCyp-18 Peptidyl-prolyl isomerase

J Med Chem 45: 3928-33 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ37WC
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP4


(Homo sapiens (Human))		BDBM50118068
PNG
(1-[2-(2-Acetylamino-propionylamino)-propionyl]-pyr...)
Show SMILES C[C@H](NC(C)=O)C(=O)N[C@H](C)C(=O)N1CCCC1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C28H34N6O7/c1-17(29-19(3)35)25(36)30-18(2)28(39)33-15-7-10-24(33)27(38)32-23(16-20-8-5-4-6-9-20)26(37)31-21-11-13-22(14-12-21)34(40)41/h4-6,8-9,11-14,17-18,23-24H,7,10,15-16H2,1-3H3,(H,29,35)(H,30,36)(H,31,37)(H,32,38)/t17-,18+,23-,24?/m0/s1
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PubMed
n/an/an/a 1.45E+5n/an/an/an/an/a



D�partement d'Ing�nierie et d'Etudes des Prot�ines

Curated by ChEMBL


Assay Description
The compound was evaluated for its binding affinity against Human Cyclophilin hCyp-18 Peptidyl-prolyl isomerase

J Med Chem 45: 3928-33 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ37WC
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP4


(Homo sapiens (Human))		BDBM50118071
PNG
(CHEMBL125967 | N-[1-(2-{2-[1-(4-Nitro-phenylcarbam...)
Show SMILES C[C@H](NC(=O)CCC(O)=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C29H34N6O9/c1-18(31-24(36)13-14-26(38)39)27(40)30-17-25(37)34-15-5-8-23(34)29(42)33-22(16-19-6-3-2-4-7-19)28(41)32-20-9-11-21(12-10-20)35(43)44/h2-4,6-7,9-12,18,22-23H,5,8,13-17H2,1H3,(H,30,40)(H,31,36)(H,32,41)(H,33,42)(H,38,39)/t18-,22-,23-/m0/s1
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UniChem

Similars
PubMed
n/an/an/a 1.40E+5n/an/an/an/an/a



D�partement d'Ing�nierie et d'Etudes des Prot�ines

Curated by ChEMBL


Assay Description
The compound was evaluated for its binding affinity against Human Cyclophilin hCyp-18 Peptidyl-prolyl isomerase

J Med Chem 45: 3928-33 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ37WC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%