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Found 2080 hits Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase'   
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


(Saccharomyces cerevisiae (Baker's yeast))
BDBM53401
PNG
((3R,3aS,7R,7aS)-2-benzyl-3-(3-chloro-4-methoxy-phe...)
Show SMILES CC[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(OC)c(Cl)c1
Show InChI InChI=1S/C24H26ClNO2/c1-3-17-10-7-11-19-22(17)24(27)26(15-16-8-5-4-6-9-16)23(19)18-12-13-21(28-2)20(25)14-18/h4-9,11-14,17,19,22-23H,3,10,15H2,1-2H3/t17-,19+,22+,23+/m1/s1
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n/an/a 2.00E+3n/an/an/an/a7.00



Tohoku University



Assay Description
Assay was carried out measuring the MCA fluorescence using Suc-Ala-Glu-Pro-Phe-MCA as substrate purchased from Japan Peptide Institute Co.


Chem Biol 10: 15-24 (2003)


Article DOI: 10.1016/S1074-5521(02)00310-1
BindingDB Entry DOI: 10.7270/Q24Q7SDN
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase


(Saccharomyces cerevisiae (Baker's yeast))
BDBM53402
PNG
((3R,3aR,7aR)-2-benzyl-3-(1-bromo-2-naphthyl)-7a-me...)
Show SMILES C[C@@]12CCC=C[C@H]1[C@@H](N(Cc1ccccc1)C2=O)c1ccc2ccccc2c1Br
Show InChI InChI=1S/C26H24BrNO/c1-26-16-8-7-13-22(26)24(28(25(26)29)17-18-9-3-2-4-10-18)21-15-14-19-11-5-6-12-20(19)23(21)27/h2-7,9-15,22,24H,8,16-17H2,1H3/t22-,24-,26+/m0/s1
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n/an/a 1.50E+3n/an/an/an/a7.00



Tohoku University



Assay Description
Assay was carried out measuring the MCA fluorescence using Suc-Ala-Glu-Pro-Phe-MCA as substrate purchased from Japan Peptide Institute Co.


Chem Biol 10: 15-24 (2003)


Article DOI: 10.1016/S1074-5521(02)00310-1
BindingDB Entry DOI: 10.7270/Q24Q7SDN
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase


(Saccharomyces cerevisiae (Baker's yeast))
BDBM53403
PNG
((3R,3aR,7aR)-2-benzyl-3-(5-bromo-2-methoxy-phenyl)...)
Show SMILES COc1ccc(Br)cc1[C@H]1[C@@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1
Show InChI InChI=1S/C23H24BrNO2/c1-23-13-7-6-10-19(23)21(18-14-17(24)11-12-20(18)27-2)25(22(23)26)15-16-8-4-3-5-9-16/h3-6,8-12,14,19,21H,7,13,15H2,1-2H3/t19-,21-,23+/m0/s1
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n/an/a 5.00E+3n/an/an/an/a7.00



Tohoku University



Assay Description
Assay was carried out measuring the MCA fluorescence using Suc-Ala-Glu-Pro-Phe-MCA as substrate purchased from Japan Peptide Institute Co.


Chem Biol 10: 15-24 (2003)


Article DOI: 10.1016/S1074-5521(02)00310-1
BindingDB Entry DOI: 10.7270/Q24Q7SDN
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase


(Saccharomyces cerevisiae (Baker's yeast))
BDBM53404
PNG
((3R,3aR,7aR)-2-benzyl-3-[4-fluoro-3-(4-methylpheny...)
Show SMILES Cc1ccc(cc1)-c1cc(ccc1F)[C@H]1[C@@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1
Show InChI InChI=1S/C29H28FNO/c1-20-11-13-22(14-12-20)24-18-23(15-16-26(24)30)27-25-10-6-7-17-29(25,2)28(32)31(27)19-21-8-4-3-5-9-21/h3-6,8-16,18,25,27H,7,17,19H2,1-2H3/t25-,27-,29+/m0/s1
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n/an/a 5.00E+3n/an/an/an/a7.00



Tohoku University



Assay Description
Assay was carried out measuring the MCA fluorescence using Suc-Ala-Glu-Pro-Phe-MCA as substrate purchased from Japan Peptide Institute Co.


Chem Biol 10: 15-24 (2003)


Article DOI: 10.1016/S1074-5521(02)00310-1
BindingDB Entry DOI: 10.7270/Q24Q7SDN
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase


(Saccharomyces cerevisiae (Baker's yeast))
BDBM53412
PNG
(4-[[5-[[(1S)-1-tert-butoxycarbonyl-5-(tert-butoxyc...)
Show SMILES CCOC(=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C29H41N5O8/c1-8-40-25(37)18-12-14-19(15-13-18)33-23(35)21-22(32-17-31-21)24(36)34-20(26(38)41-28(2,3)4)11-9-10-16-30-27(39)42-29(5,6)7/h12-15,17,20H,8-11,16H2,1-7H3,(H,30,39)(H,31,32)(H,33,35)(H,34,36)/t20-/m0/s1
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n/an/a 2.50E+3n/an/an/an/a7.00



Tohoku University



Assay Description
Assay was carried out measuring the MCA fluorescence using Suc-Ala-Glu-Pro-Phe-MCA as substrate purchased from Japan Peptide Institute Co.


Chem Biol 10: 15-24 (2003)


Article DOI: 10.1016/S1074-5521(02)00310-1
BindingDB Entry DOI: 10.7270/Q24Q7SDN
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase


(Saccharomyces cerevisiae (Baker's yeast))
BDBM53405
PNG
(4-(4-methoxyphenyl)-5,8-dimethyl-2-phenyl-3,4-dihy...)
Show SMILES COc1ccc(cc1)C1CC(O)(Oc2c(C)ccc(C)c12)c1ccccc1
Show InChI InChI=1S/C24H24O3/c1-16-9-10-17(2)23-22(16)21(18-11-13-20(26-3)14-12-18)15-24(25,27-23)19-7-5-4-6-8-19/h4-14,21,25H,15H2,1-3H3
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n/an/a 5.00E+3n/an/an/an/a7.00



Tohoku University



Assay Description
Assay was carried out measuring the MCA fluorescence using Suc-Ala-Glu-Pro-Phe-MCA as substrate purchased from Japan Peptide Institute Co.


Chem Biol 10: 15-24 (2003)


Article DOI: 10.1016/S1074-5521(02)00310-1
BindingDB Entry DOI: 10.7270/Q24Q7SDN
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase


(Saccharomyces cerevisiae (Baker's yeast))
BDBM53411
PNG
((2S)-2-[[[4-[(3-methylanilino)-oxomethyl]-1H-imida...)
Show SMILES Cc1cccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1
Show InChI InChI=1S/C27H39N5O6/c1-17-11-10-12-18(15-17)31-22(33)20-21(30-16-29-20)23(34)32-19(24(35)37-26(2,3)4)13-8-9-14-28-25(36)38-27(5,6)7/h10-12,15-16,19H,8-9,13-14H2,1-7H3,(H,28,36)(H,29,30)(H,31,33)(H,32,34)/t19-/m0/s1
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n/an/a>1.00E+4n/an/an/an/a7.00



Tohoku University



Assay Description
Assay was carried out measuring the MCA fluorescence using Suc-Ala-Glu-Pro-Phe-MCA as substrate purchased from Japan Peptide Institute Co.


Chem Biol 10: 15-24 (2003)


Article DOI: 10.1016/S1074-5521(02)00310-1
BindingDB Entry DOI: 10.7270/Q24Q7SDN
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase


(Saccharomyces cerevisiae (Baker's yeast))
BDBM53406
PNG
((6Z)-1-benzoyl-4-(4-fluorobenzyl)-5-(4-methoxyphen...)
Show SMILES COc1ccc(cc1)C1\C=C/CN(CC(=O)N1Cc1ccc(F)cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C27H25FN2O3/c1-33-24-15-11-21(12-16-24)25-8-5-17-29(27(32)22-6-3-2-4-7-22)19-26(31)30(25)18-20-9-13-23(28)14-10-20/h2-16,25H,17-19H2,1H3/b8-5-
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n/an/a>1.00E+4n/an/an/an/a7.00



Tohoku University



Assay Description
Assay was carried out measuring the MCA fluorescence using Suc-Ala-Glu-Pro-Phe-MCA as substrate purchased from Japan Peptide Institute Co.


Chem Biol 10: 15-24 (2003)


Article DOI: 10.1016/S1074-5521(02)00310-1
BindingDB Entry DOI: 10.7270/Q24Q7SDN
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase


(Saccharomyces cerevisiae (Baker's yeast))
BDBM53407
PNG
(2-(2-methoxyphenyl)-8-nitro-5-oxidanyl-chromen-4-o...)
Show SMILES COc1ccccc1-c1cc(=O)c2c(O)ccc([N+]([O-])=O)c2o1
Show InChI InChI=1S/C16H11NO6/c1-22-13-5-3-2-4-9(13)14-8-12(19)15-11(18)7-6-10(17(20)21)16(15)23-14/h2-8,18H,1H3
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n/an/a>1.00E+4n/an/an/an/a7.00



Tohoku University



Assay Description
Assay was carried out measuring the MCA fluorescence using Suc-Ala-Glu-Pro-Phe-MCA as substrate purchased from Japan Peptide Institute Co.


Chem Biol 10: 15-24 (2003)


Article DOI: 10.1016/S1074-5521(02)00310-1
BindingDB Entry DOI: 10.7270/Q24Q7SDN
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase


(Saccharomyces cerevisiae (Baker's yeast))
BDBM53408
PNG
((2S)-2-[[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl...)
Show SMILES CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N1CCc2ccccc2C1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C27H30N4O4/c1-18(2)14-22(27(34)35-16-19-8-4-3-5-9-19)30-25(32)23-24(29-17-28-23)26(33)31-13-12-20-10-6-7-11-21(20)15-31/h3-11,17-18,22H,12-16H2,1-2H3,(H,28,29)(H,30,32)/t22-/m0/s1
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n/an/a>1.50E+3n/an/an/an/a7.00



Tohoku University



Assay Description
Assay was carried out measuring the MCA fluorescence using Suc-Ala-Glu-Pro-Phe-MCA as substrate purchased from Japan Peptide Institute Co.


Chem Biol 10: 15-24 (2003)


Article DOI: 10.1016/S1074-5521(02)00310-1
BindingDB Entry DOI: 10.7270/Q24Q7SDN
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase


(Saccharomyces cerevisiae (Baker's yeast))
BDBM53409
PNG
((2S)-2-[[4-[[(1S)-2-tert-butoxy-2-keto-1-methyl-et...)
Show SMILES CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N[C@@H](C)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
Show InChI InChI=1S/C25H34N4O6/c1-15(2)12-18(24(33)34-13-17-10-8-7-9-11-17)29-22(31)20-19(26-14-27-20)21(30)28-16(3)23(32)35-25(4,5)6/h7-11,14-16,18H,12-13H2,1-6H3,(H,26,27)(H,28,30)(H,29,31)/t16-,18-/m0/s1
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Tohoku University



Assay Description
Assay was carried out measuring the MCA fluorescence using Suc-Ala-Glu-Pro-Phe-MCA as substrate purchased from Japan Peptide Institute Co.


Chem Biol 10: 15-24 (2003)


Article DOI: 10.1016/S1074-5521(02)00310-1
BindingDB Entry DOI: 10.7270/Q24Q7SDN
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase


(Saccharomyces cerevisiae (Baker's yeast))
BDBM53410
PNG
(4-[[5-[[(1S)-1-benzyl-2-tert-butoxy-2-keto-ethyl]c...)
Show SMILES CCOC(=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C27H30N4O6/c1-5-36-25(34)18-11-13-19(14-12-18)30-23(32)21-22(29-16-28-21)24(33)31-20(26(35)37-27(2,3)4)15-17-9-7-6-8-10-17/h6-14,16,20H,5,15H2,1-4H3,(H,28,29)(H,30,32)(H,31,33)/t20-/m0/s1
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n/an/a>1.00E+4n/an/an/an/a7.00



Tohoku University



Assay Description
Assay was carried out measuring the MCA fluorescence using Suc-Ala-Glu-Pro-Phe-MCA as substrate purchased from Japan Peptide Institute Co.


Chem Biol 10: 15-24 (2003)


Article DOI: 10.1016/S1074-5521(02)00310-1
BindingDB Entry DOI: 10.7270/Q24Q7SDN
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase


(Saccharomyces cerevisiae (Baker's yeast))
BDBM16415
PNG
((1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic...)
Show SMILES OC(=O)CN1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C14H9NO4/c16-11(17)7-15-13(18)9-5-1-3-8-4-2-6-10(12(8)9)14(15)19/h1-6H,7H2,(H,16,17)
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n/an/a>1.00E+4n/an/an/an/a7.00



Tohoku University



Assay Description
Assay was carried out measuring the MCA fluorescence using Suc-Ala-Glu-Pro-Phe-MCA as substrate purchased from Japan Peptide Institute Co.


Chem Biol 10: 15-24 (2003)


Article DOI: 10.1016/S1074-5521(02)00310-1
BindingDB Entry DOI: 10.7270/Q24Q7SDN
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))
BDBM93258
PNG
(CypA Inhibitor, 3a)
Show SMILES COC(=O)c1cc(ccc1NCc1ccccc1)C(=O)Nc1cc(nc2ccccc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C31H24ClN3O3/c1-38-31(37)25-17-22(14-15-26(25)33-19-20-8-3-2-4-9-20)30(36)35-29-18-28(21-10-7-11-23(32)16-21)34-27-13-6-5-12-24(27)29/h2-18,33H,19H2,1H3,(H,34,35,36)
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n/an/an/a 8.18E+3n/an/an/a7.425



East China Univesity of Science and Technology



Assay Description
CypA in vitro were determined by employing surface plasmon resonance (SPR) technology.


J Comb Chem 8: 326-37


Article DOI: 10.1021/cc0501561
BindingDB Entry DOI: 10.7270/Q2C24V11
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))
BDBM93259
PNG
(CypA Inhibitor, 3b)
Show SMILES COC(=O)c1cc(ccc1NCc1ccccc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C27H26N4O6S/c1-17-18(2)30-37-26(17)31-38(34,35)22-12-10-21(11-13-22)29-25(32)20-9-14-24(23(15-20)27(33)36-3)28-16-19-7-5-4-6-8-19/h4-15,28,31H,16H2,1-3H3,(H,29,32)
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n/an/an/a 1.08E+4n/an/an/a7.425



East China Univesity of Science and Technology



Assay Description
CypA in vitro were determined by employing surface plasmon resonance (SPR) technology.


J Comb Chem 8: 326-37


Article DOI: 10.1021/cc0501561
BindingDB Entry DOI: 10.7270/Q2C24V11
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))
BDBM93260
PNG
(CypA Inhibitor, 4a)
Show SMILES COC(=O)c1cc(NC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)ccc1NCc1ccccc1
Show InChI InChI=1S/C32H24N4O5/c1-39-32(38)23-18-22(12-14-24(23)33-19-20-7-3-2-4-8-20)34-31(37)21-11-13-25-26(17-21)36-30(28-10-6-16-41-28)29(35-25)27-9-5-15-40-27/h2-18,33H,19H2,1H3,(H,34,37)
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n/an/a 250 8.19E+3n/an/an/a7.425



East China Univesity of Science and Technology



Assay Description
CypA in vitro were determined by employing surface plasmon resonance (SPR) technology.


J Comb Chem 8: 326-37


Article DOI: 10.1021/cc0501561
BindingDB Entry DOI: 10.7270/Q2C24V11
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))
BDBM93261
PNG
(CypA Inhibitor, 4b)
Show SMILES Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4nc(-c5ccco5)c(nc4c3)-c3ccco3)cc2)c1C
Show InChI InChI=1S/C28H21N5O6S/c1-16-17(2)32-39-28(16)33-40(35,36)20-10-8-19(9-11-20)29-27(34)18-7-12-21-22(15-18)31-26(24-6-4-14-38-24)25(30-21)23-5-3-13-37-23/h3-15,33H,1-2H3,(H,29,34)
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n/an/an/a 2.73E+4n/an/an/a7.425



East China Univesity of Science and Technology



Assay Description
CypA in vitro were determined by employing surface plasmon resonance (SPR) technology.


J Comb Chem 8: 326-37


Article DOI: 10.1021/cc0501561
BindingDB Entry DOI: 10.7270/Q2C24V11
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))
BDBM93262
PNG
(CypA Inhibitor, 4c)
Show SMILES Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4nc(-c5ccco5)c(nc4c3)-c3ccco3)cc2)n1
Show InChI InChI=1S/C28H20N6O5S/c1-17-12-13-29-28(30-17)34-40(36,37)20-9-7-19(8-10-20)31-27(35)18-6-11-21-22(16-18)33-26(24-5-3-15-39-24)25(32-21)23-4-2-14-38-23/h2-16H,1H3,(H,31,35)(H,29,30,34)
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n/an/a 6.43E+3 4.10E+4n/an/an/a7.425



East China Univesity of Science and Technology



Assay Description
CypA in vitro were determined by employing surface plasmon resonance (SPR) technology.


J Comb Chem 8: 326-37


Article DOI: 10.1021/cc0501561
BindingDB Entry DOI: 10.7270/Q2C24V11
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))
BDBM93263
PNG
(CypA Inhibitor, 4d)
Show SMILES Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4nc(-c5ccco5)c(nc4c3)-c3ccco3)cc2)n1
Show InChI InChI=1S/C29H22N6O5S/c1-17-15-18(2)31-29(30-17)35-41(37,38)21-10-8-20(9-11-21)32-28(36)19-7-12-22-23(16-19)34-27(25-6-4-14-40-25)26(33-22)24-5-3-13-39-24/h3-16H,1-2H3,(H,32,36)(H,30,31,35)
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n/an/an/a 3.08E+4n/an/an/a7.425



East China Univesity of Science and Technology



Assay Description
CypA in vitro were determined by employing surface plasmon resonance (SPR) technology.


J Comb Chem 8: 326-37


Article DOI: 10.1021/cc0501561
BindingDB Entry DOI: 10.7270/Q2C24V11
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))
BDBM93264
PNG
(CypA Inhibitor, 4e)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4nc(-c5ccco5)c(nc4c3)-c3ccco3)cc2)no1
Show InChI InChI=1S/C27H19N5O6S/c1-16-14-24(31-38-16)32-39(34,35)19-9-7-18(8-10-19)28-27(33)17-6-11-20-21(15-17)30-26(23-5-3-13-37-23)25(29-20)22-4-2-12-36-22/h2-15H,1H3,(H,28,33)(H,31,32)
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n/an/a 2.86E+3 3.87E+4n/an/an/a7.425



East China Univesity of Science and Technology



Assay Description
CypA in vitro were determined by employing surface plasmon resonance (SPR) technology.


J Comb Chem 8: 326-37


Article DOI: 10.1021/cc0501561
BindingDB Entry DOI: 10.7270/Q2C24V11
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))
BDBM93265
PNG
(CypA Inhibitor, 4f)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C27H18N6O5S/c34-26(30-18-7-9-19(10-8-18)39(35,36)33-27-28-12-3-13-29-27)17-6-11-20-21(16-17)32-25(23-5-2-15-38-23)24(31-20)22-4-1-14-37-22/h1-16H,(H,30,34)(H,28,29,33)
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n/an/a 960 2.28E+4n/an/an/a7.425



East China Univesity of Science and Technology



Assay Description
CypA in vitro were determined by employing surface plasmon resonance (SPR) technology.


J Comb Chem 8: 326-37


Article DOI: 10.1021/cc0501561
BindingDB Entry DOI: 10.7270/Q2C24V11
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))
BDBM93266
PNG
(CypA Inhibitor, 4g)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)Nc1cnc2ccccc2n1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C31H20N6O5S/c38-31(19-9-14-24-25(17-19)36-30(27-8-4-16-42-27)29(35-24)26-7-3-15-41-26)33-20-10-12-21(13-11-20)43(39,40)37-28-18-32-22-5-1-2-6-23(22)34-28/h1-18H,(H,33,38)(H,34,37)
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n/an/a 780 3.53E+4n/an/an/a7.425



East China Univesity of Science and Technology



Assay Description
CypA in vitro were determined by employing surface plasmon resonance (SPR) technology.


J Comb Chem 8: 326-37


Article DOI: 10.1021/cc0501561
BindingDB Entry DOI: 10.7270/Q2C24V11
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))
BDBM93251
PNG
(CypA Inhibitor, 1a)
Show SMILES CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(nc2ccccc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C30H30ClN3O/c1-30(2,3)33-29(35)28-17-20-9-4-5-10-22(20)18-34(28)19-23-16-27(21-11-8-12-24(31)15-21)32-26-14-7-6-13-25(23)26/h4-16,28H,17-19H2,1-3H3,(H,33,35)/t28-/m0/s1
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n/an/an/a 2.43E+4n/an/an/a7.425



East China Univesity of Science and Technology



Assay Description
CypA in vitro were determined by employing surface plasmon resonance (SPR) technology.


J Comb Chem 8: 326-37


Article DOI: 10.1021/cc0501561
BindingDB Entry DOI: 10.7270/Q2C24V11
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))
BDBM93252
PNG
(CypA Inhibitor, 1b)
Show SMILES CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(nc2ccccc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C34H33N3O/c1-34(2,3)36-33(38)32-20-25-12-6-7-13-27(25)21-37(32)22-28-19-31(35-30-15-9-8-14-29(28)30)26-17-16-23-10-4-5-11-24(23)18-26/h4-19,32H,20-22H2,1-3H3,(H,36,38)/t32-/m0/s1
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n/an/an/a 3.07E+3n/an/an/a7.425



East China Univesity of Science and Technology



Assay Description
CypA in vitro were determined by employing surface plasmon resonance (SPR) technology.


J Comb Chem 8: 326-37


Article DOI: 10.1021/cc0501561
BindingDB Entry DOI: 10.7270/Q2C24V11
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))
BDBM93253
PNG
(CypA Inhibitor, 1c)
Show SMILES C(N1CCCCC1)c1cc(nc2ccccc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C25H24N2/c1-6-14-27(15-7-1)18-22-17-25(26-24-11-5-4-10-23(22)24)21-13-12-19-8-2-3-9-20(19)16-21/h2-5,8-13,16-17H,1,6-7,14-15,18H2
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n/an/an/a 212n/an/an/a7.425



East China Univesity of Science and Technology



Assay Description
CypA in vitro were determined by employing surface plasmon resonance (SPR) technology.


J Comb Chem 8: 326-37


Article DOI: 10.1021/cc0501561
BindingDB Entry DOI: 10.7270/Q2C24V11
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))
BDBM93254
PNG
(CypA Inhibitor, 1d)
Show SMILES CCOC(=O)[C@@H]1CCCN(Cc2cc(nc3ccccc23)-c2ccc3ccccc3c2)C1
Show InChI InChI=1S/C28H28N2O2/c1-2-32-28(31)23-10-7-15-30(18-23)19-24-17-27(29-26-12-6-5-11-25(24)26)22-14-13-20-8-3-4-9-21(20)16-22/h3-6,8-9,11-14,16-17,23H,2,7,10,15,18-19H2,1H3/t23-/m1/s1
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n/an/an/a 1.72E+4n/an/an/a7.425



East China Univesity of Science and Technology



Assay Description
CypA in vitro were determined by employing surface plasmon resonance (SPR) technology.


J Comb Chem 8: 326-37


Article DOI: 10.1021/cc0501561
BindingDB Entry DOI: 10.7270/Q2C24V11
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))
BDBM93255
PNG
(CypA Inhibitor, 1e)
Show SMILES CCN(CC)C(=O)CNCc1cc(nc2ccccc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C26H27N3O/c1-3-29(4-2)26(30)18-27-17-22-16-25(28-24-12-8-7-11-23(22)24)21-14-13-19-9-5-6-10-20(19)15-21/h5-16,27H,3-4,17-18H2,1-2H3
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n/an/an/a 3.41E+3n/an/an/a7.425



East China Univesity of Science and Technology



Assay Description
CypA in vitro were determined by employing surface plasmon resonance (SPR) technology.


J Comb Chem 8: 326-37


Article DOI: 10.1021/cc0501561
BindingDB Entry DOI: 10.7270/Q2C24V11
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))
BDBM93256
PNG
(CypA Inhibitor, 2a)
Show SMILES CC(C)CCOC(=O)Nc1cc(nc2ccccc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C25H24N2O2/c1-17(2)13-14-29-25(28)27-24-16-23(26-22-10-6-5-9-21(22)24)20-12-11-18-7-3-4-8-19(18)15-20/h3-12,15-17H,13-14H2,1-2H3,(H,26,27,28)
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n/an/an/a 76.2n/an/an/a7.425



East China Univesity of Science and Technology



Assay Description
CypA in vitro were determined by employing surface plasmon resonance (SPR) technology.


J Comb Chem 8: 326-37


Article DOI: 10.1021/cc0501561
BindingDB Entry DOI: 10.7270/Q2C24V11
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))
BDBM93257
PNG
(CypA Inhibitor, 2b)
Show SMILES CCOC(=O)[C@H]1CCCN(C1)C(=O)Nc1cc(nc2ccccc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C24H24ClN3O3/c1-2-31-23(29)17-8-6-12-28(15-17)24(30)27-22-14-21(16-7-5-9-18(25)13-16)26-20-11-4-3-10-19(20)22/h3-5,7,9-11,13-14,17H,2,6,8,12,15H2,1H3,(H,26,27,30)/t17-/m0/s1
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n/an/an/a 2.88E+4n/an/an/a7.425



East China Univesity of Science and Technology



Assay Description
CypA in vitro were determined by employing surface plasmon resonance (SPR) technology.


J Comb Chem 8: 326-37


Article DOI: 10.1021/cc0501561
BindingDB Entry DOI: 10.7270/Q2C24V11
More data for this
Ligand-Target Pair
PPIase Pin1


(Homo sapiens)
BDBM34012
PNG
(3-fluorophenylalanine derivative, 21b)
Show SMILES OP(O)(=O)OC[C@@H](Cc1cccc(F)c1)NC(=O)c1cc2ccccc2s1
Show InChI InChI=1S/C18H17FNO5PS/c19-14-6-3-4-12(8-14)9-15(11-25-26(22,23)24)20-18(21)17-10-13-5-1-2-7-16(13)27-17/h1-8,10,15H,9,11H2,(H,20,21)(H2,22,23,24)/t15-/m1/s1
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6 -45.4n/an/an/an/an/a7.515



Pfizer



Assay Description
The cis/trans conversion of cis-Suc-AEPFpNA peptide by the PPIase led to the cleavage of para nitroaniline by subtilisin which was monitored at 390 n...


Bioorg Med Chem Lett 19: 5613-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.034
BindingDB Entry DOI: 10.7270/Q2XD100H
More data for this
Ligand-Target Pair
PPIase Pin1


(Homo sapiens)
BDBM34011
PNG
(3-fluorophenylalanine derivative, 21a)
Show SMILES OP(O)(=O)OC[C@@H](Cc1cccc(F)c1)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H19FNO5P/c21-18-7-3-4-14(10-18)11-19(13-27-28(24,25)26)22-20(23)17-9-8-15-5-1-2-6-16(15)12-17/h1-10,12,19H,11,13H2,(H,22,23)(H2,24,25,26)/t19-/m1/s1
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8 -44.7n/an/an/an/an/a7.515



Pfizer



Assay Description
The cis/trans conversion of cis-Suc-AEPFpNA peptide by the PPIase led to the cleavage of para nitroaniline by subtilisin which was monitored at 390 n...


Bioorg Med Chem Lett 19: 5613-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.034
BindingDB Entry DOI: 10.7270/Q2XD100H
More data for this
Ligand-Target Pair
PPIase Pin1


(Homo sapiens)
BDBM34013
PNG
(3-methylphenylalanine derivative, 22a)
Show SMILES Cc1cccc(C[C@H](COP(O)(O)=O)NC(=O)c2ccc3ccccc3c2)c1
Show InChI InChI=1S/C21H22NO5P/c1-15-5-4-6-16(11-15)12-20(14-27-28(24,25)26)22-21(23)19-10-9-17-7-2-3-8-18(17)13-19/h2-11,13,20H,12,14H2,1H3,(H,22,23)(H2,24,25,26)/t20-/m1/s1
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32 -41.3n/an/an/an/an/a7.515



Pfizer



Assay Description
The cis/trans conversion of cis-Suc-AEPFpNA peptide by the PPIase led to the cleavage of para nitroaniline by subtilisin which was monitored at 390 n...


Bioorg Med Chem Lett 19: 5613-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.034
BindingDB Entry DOI: 10.7270/Q2XD100H
More data for this
Ligand-Target Pair
PPIase Pin1


(Homo sapiens)
BDBM34014
PNG
(3-methylphenylalanine derivative, 22b)
Show SMILES Cc1cccc(C[C@H](COP(O)(O)=O)NC(=O)c2cc3ccccc3s2)c1
Show InChI InChI=1S/C19H20NO5PS/c1-13-5-4-6-14(9-13)10-16(12-25-26(22,23)24)20-19(21)18-11-15-7-2-3-8-17(15)27-18/h2-9,11,16H,10,12H2,1H3,(H,20,21)(H2,22,23,24)/t16-/m1/s1
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57 -40.0n/an/an/an/an/a7.515



Pfizer



Assay Description
The cis/trans conversion of cis-Suc-AEPFpNA peptide by the PPIase led to the cleavage of para nitroaniline by subtilisin which was monitored at 390 n...


Bioorg Med Chem Lett 19: 5613-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.034
BindingDB Entry DOI: 10.7270/Q2XD100H
More data for this
Ligand-Target Pair
PPIase Pin1


(Homo sapiens)
BDBM34015
PNG
(2,3-difluorophenylalanine derivative, 23a)
Show SMILES OP(O)(=O)OC[C@@H](Cc1cccc(F)c1F)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H18F2NO5P/c21-18-7-3-6-15(19(18)22)11-17(12-28-29(25,26)27)23-20(24)16-9-8-13-4-1-2-5-14(13)10-16/h1-10,17H,11-12H2,(H,23,24)(H2,25,26,27)/t17-/m1/s1
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78 -39.2n/an/an/an/an/a7.515



Pfizer



Assay Description
The cis/trans conversion of cis-Suc-AEPFpNA peptide by the PPIase led to the cleavage of para nitroaniline by subtilisin which was monitored at 390 n...


Bioorg Med Chem Lett 19: 5613-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.034
BindingDB Entry DOI: 10.7270/Q2XD100H
More data for this
Ligand-Target Pair
PPIase Pin1


(Homo sapiens)
BDBM34016
PNG
(2,3-difluorophenylalanine derivative, 23b)
Show SMILES OP(O)(=O)OC[C@@H](Cc1cccc(F)c1F)NC(=O)c1cc2ccccc2s1
Show InChI InChI=1S/C18H16F2NO5PS/c19-14-6-3-5-12(17(14)20)8-13(10-26-27(23,24)25)21-18(22)16-9-11-4-1-2-7-15(11)28-16/h1-7,9,13H,8,10H2,(H,21,22)(H2,23,24,25)/t13-/m1/s1
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89 -38.9n/an/an/an/an/a7.515



Pfizer



Assay Description
The cis/trans conversion of cis-Suc-AEPFpNA peptide by the PPIase led to the cleavage of para nitroaniline by subtilisin which was monitored at 390 n...


Bioorg Med Chem Lett 19: 5613-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.034
BindingDB Entry DOI: 10.7270/Q2XD100H
More data for this
Ligand-Target Pair
PPIase Pin1


(Homo sapiens)
BDBM34009
PNG
(naphthalene carboxamide, 18a)
Show SMILES OP(O)(=O)OC[C@@H](Cc1ccccc1)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H20NO5P/c22-20(18-11-10-16-8-4-5-9-17(16)13-18)21-19(14-26-27(23,24)25)12-15-6-2-1-3-7-15/h1-11,13,19H,12,14H2,(H,21,22)(H2,23,24,25)/t19-/m1/s1
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100 -38.6n/an/an/an/an/a7.515



Pfizer



Assay Description
The cis/trans conversion of cis-Suc-AEPFpNA peptide by the PPIase led to the cleavage of para nitroaniline by subtilisin which was monitored at 390 n...


Bioorg Med Chem Lett 19: 5613-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.034
BindingDB Entry DOI: 10.7270/Q2XD100H
More data for this
Ligand-Target Pair
PPIase Pin1


(Homo sapiens)
BDBM34010
PNG
(benzothiophene carboxamide, 18b)
Show SMILES OP(O)(=O)OC[C@@H](Cc1ccccc1)NC(=O)c1cc2ccccc2s1
Show InChI InChI=1S/C18H18NO5PS/c20-18(17-11-14-8-4-5-9-16(14)26-17)19-15(12-24-25(21,22)23)10-13-6-2-1-3-7-13/h1-9,11,15H,10,12H2,(H,19,20)(H2,21,22,23)/t15-/m1/s1
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179 -37.2n/an/an/an/an/a7.515



Pfizer



Assay Description
The cis/trans conversion of cis-Suc-AEPFpNA peptide by the PPIase led to the cleavage of para nitroaniline by subtilisin which was monitored at 390 n...


Bioorg Med Chem Lett 19: 5613-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.034
BindingDB Entry DOI: 10.7270/Q2XD100H
More data for this
Ligand-Target Pair
PPIase Pin1


(Homo sapiens)
BDBM34008
PNG
(amide, 17c)
Show SMILES OP(O)(=O)OC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C16H18NO5P/c18-16(14-9-5-2-6-10-14)17-15(12-22-23(19,20)21)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,17,18)(H2,19,20,21)/t15-/m1/s1
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525 -34.6n/an/an/an/an/a7.515



Pfizer



Assay Description
The cis/trans conversion of cis-Suc-AEPFpNA peptide by the PPIase led to the cleavage of para nitroaniline by subtilisin which was monitored at 390 n...


Bioorg Med Chem Lett 19: 5613-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.034
BindingDB Entry DOI: 10.7270/Q2XD100H
More data for this
Ligand-Target Pair
PPIase Pin1


(Homo sapiens)
BDBM34005
PNG
(pipecolate deriv., 12b)
Show SMILES OP(O)(=O)OC[C@@H](Cc1ccccc1)NC(=O)N1CCCC[C@H]1C(=O)OC(CCCc1ccccc1)CCCc1ccccc1
Show InChI InChI=1S/C35H45N2O7P/c38-34(44-32(22-12-20-28-14-4-1-5-15-28)23-13-21-29-16-6-2-7-17-29)33-24-10-11-25-37(33)35(39)36-31(27-43-45(40,41)42)26-30-18-8-3-9-19-30/h1-9,14-19,31-33H,10-13,20-27H2,(H,36,39)(H2,40,41,42)/t31-,33+/m1/s1
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800 -33.6n/an/an/an/an/a7.515



Pfizer



Assay Description
The cis/trans conversion of cis-Suc-AEPFpNA peptide by the PPIase led to the cleavage of para nitroaniline by subtilisin which was monitored at 390 n...


Bioorg Med Chem Lett 19: 5613-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.034
BindingDB Entry DOI: 10.7270/Q2XD100H
More data for this
Ligand-Target Pair
PPIase Pin1


(Homo sapiens)
BDBM34003
PNG
(pipecolate deriv., 11)
Show SMILES OP(O)(=O)OC[C@@H](Cc1ccccc1)NC(=O)N1CCCC[C@H]1C(=O)OCCCCc1ccccc1
Show InChI InChI=1S/C26H35N2O7P/c29-25(34-18-10-8-13-21-11-3-1-4-12-21)24-16-7-9-17-28(24)26(30)27-23(20-35-36(31,32)33)19-22-14-5-2-6-15-22/h1-6,11-12,14-15,23-24H,7-10,13,16-20H2,(H,27,30)(H2,31,32,33)/t23-,24+/m1/s1
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1.70E+3 -31.8n/an/an/an/an/a7.515



Pfizer



Assay Description
The cis/trans conversion of cis-Suc-AEPFpNA peptide by the PPIase led to the cleavage of para nitroaniline by subtilisin which was monitored at 390 n...


Bioorg Med Chem Lett 19: 5613-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.034
BindingDB Entry DOI: 10.7270/Q2XD100H
More data for this
Ligand-Target Pair
PPIase Pin1


(Homo sapiens)
BDBM34007
PNG
(urea, 17b)
Show SMILES OP(O)(=O)OC[C@@H](Cc1ccccc1)NC(=O)Nc1ccccc1
Show InChI InChI=1S/C16H19N2O5P/c19-16(17-14-9-5-2-6-10-14)18-15(12-23-24(20,21)22)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H2,17,18,19)(H2,20,21,22)/t15-/m1/s1
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4.13E+3 -29.7n/an/an/an/an/a7.515



Pfizer



Assay Description
The cis/trans conversion of cis-Suc-AEPFpNA peptide by the PPIase led to the cleavage of para nitroaniline by subtilisin which was monitored at 390 n...


Bioorg Med Chem Lett 19: 5613-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.034
BindingDB Entry DOI: 10.7270/Q2XD100H
More data for this
Ligand-Target Pair
PPIase Pin1


(Homo sapiens)
BDBM34006
PNG
(sulfonamide, 17a)
Show SMILES OP(O)(=O)OC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H18NO6PS/c17-23(18,19)22-12-14(11-13-7-3-1-4-8-13)16-24(20,21)15-9-5-2-6-10-15/h1-10,14,16H,11-12H2,(H2,17,18,19)/t14-/m1/s1
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8.77E+3 -27.9n/an/an/an/an/a7.515



Pfizer



Assay Description
The cis/trans conversion of cis-Suc-AEPFpNA peptide by the PPIase led to the cleavage of para nitroaniline by subtilisin which was monitored at 390 n...


Bioorg Med Chem Lett 19: 5613-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.034
BindingDB Entry DOI: 10.7270/Q2XD100H
More data for this
Ligand-Target Pair
PPIase Pin1


(Homo sapiens)
BDBM34004
PNG
(pipecolate deriv., 12a)
Show SMILES OS(=O)(=O)OC[C@@H](Cc1ccccc1)NC(=O)N1CCCC[C@H]1C(=O)OC(CCCc1ccccc1)CCCc1ccccc1
Show InChI InChI=1S/C35H44N2O7S/c38-34(44-32(22-12-20-28-14-4-1-5-15-28)23-13-21-29-16-6-2-7-17-29)33-24-10-11-25-37(33)35(39)36-31(27-43-45(40,41)42)26-30-18-8-3-9-19-30/h1-9,14-19,31-33H,10-13,20-27H2,(H,36,39)(H,40,41,42)/t31-,33+/m1/s1
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9.46E+3 -27.7n/an/an/an/an/a7.515



Pfizer



Assay Description
The cis/trans conversion of cis-Suc-AEPFpNA peptide by the PPIase led to the cleavage of para nitroaniline by subtilisin which was monitored at 390 n...


Bioorg Med Chem Lett 19: 5613-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.034
BindingDB Entry DOI: 10.7270/Q2XD100H
More data for this
Ligand-Target Pair
PPIase Pin1


(Homo sapiens)
BDBM34001
PNG
(pipecolate deriv., 9)
Show SMILES OC[C@@H](Cc1ccccc1)NC(=O)N1CCCC[C@H]1C(=O)OCCCCc1ccccc1
Show InChI InChI=1S/C26H34N2O4/c29-20-23(19-22-14-5-2-6-15-22)27-26(31)28-17-9-7-16-24(28)25(30)32-18-10-8-13-21-11-3-1-4-12-21/h1-6,11-12,14-15,23-24,29H,7-10,13,16-20H2,(H,27,31)/t23-,24+/m1/s1
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>5.00E+4>-23.7n/an/an/an/an/a7.515



Pfizer



Assay Description
The cis/trans conversion of cis-Suc-AEPFpNA peptide by the PPIase led to the cleavage of para nitroaniline by subtilisin which was monitored at 390 n...


Bioorg Med Chem Lett 19: 5613-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.034
BindingDB Entry DOI: 10.7270/Q2XD100H
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM23345
PNG
(1-(3,4-dichlorophenyl)-2-{4,6-dimethoxy-12-oxo-11,...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccc(Cl)c(Cl)c4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C25H24Cl2N2O5/c1-33-15-10-13-8-9-28-22(21(13)20(12-15)34-2)18-4-3-5-19(24(28)31)29(18)25(32)23(30)14-6-7-16(26)17(27)11-14/h6-7,10-12,18-19,22H,3-5,8-9H2,1-2H3
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34 -41.2n/an/an/an/an/a8.015



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM23346
PNG
(1-{4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11.3...)
Show SMILES COc1cc(OC)cc(c1)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3cc(OC)cc(OC)c3C21
Show InChI InChI=1S/C27H30N2O7/c1-33-17-11-16(12-18(13-17)34-2)25(30)27(32)29-20-6-5-7-21(29)26(31)28-9-8-15-10-19(35-3)14-22(36-4)23(15)24(20)28/h10-14,20-21,24H,5-9H2,1-4H3
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34 -41.2n/an/an/an/an/a8.015



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM23347
PNG
(1-(3-chlorophenyl)-2-{4,6-dimethoxy-12-oxo-11,17-d...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4cccc(Cl)c4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C25H25ClN2O5/c1-32-17-12-14-9-10-27-22(21(14)20(13-17)33-2)18-7-4-8-19(24(27)30)28(18)25(31)23(29)15-5-3-6-16(26)11-15/h3,5-6,11-13,18-19,22H,4,7-10H2,1-2H3
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46 -40.5n/an/an/an/an/a8.015



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM23348
PNG
(1-{4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11.3...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccc(OC)c(OC)c4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C27H30N2O7/c1-33-17-12-15-10-11-28-24(23(15)22(14-17)36-4)18-6-5-7-19(26(28)31)29(18)27(32)25(30)16-8-9-20(34-2)21(13-16)35-3/h8-9,12-14,18-19,24H,5-7,10-11H2,1-4H3
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60 -39.8n/an/an/an/an/a8.015



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM23335
PNG
(1-{4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11.3...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4cc(OC)c(OC)c(OC)c4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C28H32N2O8/c1-34-17-11-15-9-10-29-24(23(15)20(14-17)35-2)18-7-6-8-19(27(29)32)30(18)28(33)25(31)16-12-21(36-3)26(38-5)22(13-16)37-4/h11-14,18-19,24H,6-10H2,1-5H3
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69 -39.5n/an/an/an/an/a8.015



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1)


(Homo sapiens (human))
BDBM23349
PNG
(1-(4-bromophenyl)-2-{4,6-dimethoxy-12-oxo-11,17-di...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccc(Br)cc4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C25H25BrN2O5/c1-32-17-12-15-10-11-27-22(21(15)20(13-17)33-2)18-4-3-5-19(24(27)30)28(18)25(31)23(29)14-6-8-16(26)9-7-14/h6-9,12-13,18-19,22H,3-5,10-11H2,1-2H3
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71 -39.4n/an/an/an/an/a8.015



Pfizer



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 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair
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