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Compile Data Set for Download or QSAR

Found 90 hits of ki data for polymerid = 50002453   
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
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50184825
PNG
(Ac-Lys(N-epsilon-biotinoyl)-Ala-Ala-Bth-D-Thr(PO3H...)
Show SMILES C[C@@H](OP(O)(O)=O)[C@@H](NC(=O)[C@H](Cc1csc2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NC(C)=O)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C63H86N13O16PS2/c1-34(68-58(83)44(69-37(4)77)18-11-13-27-66-52(79)22-10-9-21-50-54-47(33-95-50)73-63(88)75-54)56(81)67-35(2)57(82)71-46(31-41-32-94-49-20-8-7-17-42(41)49)60(85)74-53(36(3)92-93(89,90)91)62(87)76-28-14-12-19-48(76)61(86)72-45(59(84)70-43(55(65)80)25-26-51(64)78)30-38-23-24-39-15-5-6-16-40(39)29-38/h5-8,15-17,20,23-24,29,32,34-36,43-48,50,53-54H,9-14,18-19,21-22,25-28,30-31,33H2,1-4H3,(H2,64,78)(H2,65,80)(H,66,79)(H,67,81)(H,68,83)(H,69,77)(H,70,84)(H,71,82)(H,72,86)(H,74,85)(H2,73,75,88)(H2,89,90,91)/t34-,35-,36+,43-,44-,45-,46-,47-,48-,50-,53+,54-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Max Planck Research Unit for Enzymology of Protein Folding

Curated by ChEMBL


Assay Description
Inhibition of human Pin1 PPIase Activity by protease free PPIase assay


J Med Chem 49: 2147-50 (2006)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50184823
PNG
(Ac-Lys(N-epsilon-biotinoyl)-Ala-Ala-Bip-Thr(PO3H2)...)
Show SMILES C[C@H](NC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H]([C@H](C)OP(O)(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C66H88N13O16PS/c1-37(71-61(86)48(72-40(4)80)19-12-13-31-69-55(82)22-11-10-21-53-57-51(36-97-53)76-66(91)78-57)59(84)70-38(2)60(85)74-49(34-41-23-26-45(27-24-41)43-15-6-5-7-16-43)63(88)77-56(39(3)95-96(92,93)94)65(90)79-32-14-20-52(79)64(89)75-50(62(87)73-47(58(68)83)29-30-54(67)81)35-42-25-28-44-17-8-9-18-46(44)33-42/h5-9,15-18,23-28,33,37-39,47-53,56-57H,10-14,19-22,29-32,34-36H2,1-4H3,(H2,67,81)(H2,68,83)(H,69,82)(H,70,84)(H,71,86)(H,72,80)(H,73,87)(H,74,85)(H,75,89)(H,77,88)(H2,76,78,91)(H2,92,93,94)/t37-,38-,39-,47-,48-,49-,50-,51-,52-,53-,56-,57-/m0/s1
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4.80n/an/an/an/an/an/an/an/a



Max Planck Research Unit for Enzymology of Protein Folding

Curated by ChEMBL


Assay Description
Inhibition of human Pin1 PPIase Activity by protease free PPIase assay


J Med Chem 49: 2147-50 (2006)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50314714
PNG
((R)-N-(1-(3-fluorophenyl)-3-hydroxypropan-2-yl)ben...)
Show SMILES OC[C@@H](Cc1cccc(F)c1)NC(=O)c1cc2ccccc2s1
Show InChI InChI=1S/C18H16FNO2S/c19-14-6-3-4-12(8-14)9-15(11-21)20-18(22)17-10-13-5-1-2-7-16(13)23-17/h1-8,10,15,21H,9,11H2,(H,20,22)/t15-/m1/s1
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6n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of WFYpSPFLE from human Pin1 catalytic domain after 10-20 mins by fluorescence polarization assay


Bioorg Med Chem Lett 20: 2210-4 (2010)

More data for this
Ligand-Target Pair
PPIase Pin1


(Homo sapiens (Human))
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 -10.8n/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)

More data for this
Ligand-Target Pair
PPIase Pin1


(Homo sapiens (Human))
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 -10.7n/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)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50056217
PNG
(CHEMBL3353369)
Show SMILES OC(=O)[C@@H](Cc1cc2ccc(F)cc2[nH]1)NC(=O)CC1c2ccccc2-c2ccccc12
Show InChI InChI=1/C26H21FN2O3/c27-16-10-9-15-11-17(28-23(15)12-16)13-24(26(31)32)29-25(30)14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22,24,28H,13-14H2,(H,29,30)(H,31,32)/t24-/s2
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12n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pin1 (unknown origin)


Bioorg Med Chem Lett 24: 4187-91 (2014)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50184841
PNG
(Ac-Phe-D-Thr(PO3H2)-Pip-Nal-Gln-NH2 | CHEMBL436759)
Show SMILES C[C@H](OP(O)(O)=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N1CCCC[C@@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C39H50N7O11P/c1-23(57-58(54,55)56)34(45-37(51)30(42-24(2)47)21-25-10-4-3-5-11-25)39(53)46-19-9-8-14-32(46)38(52)44-31(36(50)43-29(35(41)49)17-18-33(40)48)22-26-15-16-27-12-6-7-13-28(27)20-26/h3-7,10-13,15-16,20,23,29-32,34H,8-9,14,17-19,21-22H2,1-2H3,(H2,40,48)(H2,41,49)(H,42,47)(H,43,50)(H,44,52)(H,45,51)(H2,54,55,56)/t23-,29-,30-,31-,32+,34+/m0/s1
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18.3n/an/an/an/an/an/an/an/a



Max Planck Research Unit for Enzymology of Protein Folding

Curated by ChEMBL


Assay Description
Inhibition of human Pin1 PPIase Activity by protease free PPIase assay


J Med Chem 49: 2147-50 (2006)

More data for this
Ligand-Target Pair
PPIase Pin1


(Homo sapiens (Human))
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 -9.87n/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)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50437704
PNG
(CHEMBL2409078)
Show SMILES S=C(SC(=S)N1CCCCC1)N1CCCCC1
Show InChI InChI=1S/C12H20N2S3/c15-11(13-7-3-1-4-8-13)17-12(16)14-9-5-2-6-10-14/h1-10H2
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50n/an/an/an/an/an/an/an/a



Horizon Discovery

Curated by ChEMBL


Assay Description
Competitive inhibition of Pin1 (unknown origin) by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 23: 4283-91 (2013)

More data for this
Ligand-Target Pair
PPIase Pin1


(Homo sapiens (Human))
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 -9.54n/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)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50056216
PNG
(CHEMBL3353368)
Show SMILES OC(=O)[C@@H](Cc1cc2ccc(F)cc2[nH]1)NC(=O)CCc1c(Cl)cccc1Cl
Show InChI InChI=1/C20H17Cl2FN2O3/c21-15-2-1-3-16(22)14(15)6-7-19(26)25-18(20(27)28)10-13-8-11-4-5-12(23)9-17(11)24-13/h1-5,8-9,18,24H,6-7,10H2,(H,25,26)(H,27,28)/t18-/s2
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75n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pin1 (unknown origin)


Bioorg Med Chem Lett 24: 4187-91 (2014)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50056208
PNG
(CHEMBL3322220)
Show SMILES OC(=O)[C@@H](Cc1nc2cc(F)ccc2[nH]1)NC(=O)c1cc2ccccc2s1
Show InChI InChI=1/C19H14FN3O3S/c20-11-5-6-12-13(8-11)22-17(21-12)9-14(19(25)26)23-18(24)16-7-10-3-1-2-4-15(10)27-16/h1-8,14H,9H2,(H,21,22)(H,23,24)(H,25,26)/t14-/s2
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76n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pin1 (unknown origin)


Bioorg Med Chem Lett 24: 4187-91 (2014)

More data for this
Ligand-Target Pair
PPIase Pin1


(Homo sapiens (Human))
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 -9.36n/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)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50056214
PNG
(CHEMBL3322219)
Show SMILES OC(=O)[C@@H](Cc1nc2cc(F)ccc2[nH]1)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1/C21H16FN3O3/c22-15-7-8-16-17(10-15)24-19(23-16)11-18(21(27)28)25-20(26)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,18H,11H2,(H,23,24)(H,25,26)(H,27,28)/t18-/s2
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80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pin1 (unknown origin)


Bioorg Med Chem Lett 24: 4187-91 (2014)

More data for this
Ligand-Target Pair
PPIase Pin1


(Homo sapiens (Human))
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 -9.29n/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)

More data for this
Ligand-Target Pair
PPIase Pin1


(Homo sapiens (Human))
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 -9.22n/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)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50056211
PNG
(CHEMBL3322225)
Show SMILES OC(=O)[C@@H](Cc1cc2ccc(F)cc2[nH]1)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1/C22H17FN2O3/c23-17-8-7-15-10-18(24-19(15)11-17)12-20(22(27)28)25-21(26)16-6-5-13-3-1-2-4-14(13)9-16/h1-11,20,24H,12H2,(H,25,26)(H,27,28)/t20-/s2
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138n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pin1 (unknown origin)


Bioorg Med Chem Lett 24: 4187-91 (2014)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50056204
PNG
(CHEMBL3322215)
Show SMILES OC(=O)[C@@H](Cc1nc2cc(Cl)ccc2[nH]1)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1/C21H16ClN3O3/c22-15-7-8-16-17(10-15)24-19(23-16)11-18(21(27)28)25-20(26)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,18H,11H2,(H,23,24)(H,25,26)(H,27,28)/t18-/s2
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173n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pin1 (unknown origin)


Bioorg Med Chem Lett 24: 4187-91 (2014)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50314715
PNG
((R)-N-(1-hydroxy-3-phenylpropan-2-yl)benzo[b]thiop...)
Show SMILES OC[C@@H](Cc1ccccc1)NC(=O)c1cc2ccccc2s1
Show InChI InChI=1S/C18H17NO2S/c20-12-15(10-13-6-2-1-3-7-13)19-18(21)17-11-14-8-4-5-9-16(14)22-17/h1-9,11,15,20H,10,12H2,(H,19,21)/t15-/m1/s1
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179n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of WFYpSPFLE from human Pin1 catalytic domain after 10-20 mins by fluorescence polarization assay


Bioorg Med Chem Lett 20: 2210-4 (2010)

More data for this
Ligand-Target Pair
PPIase Pin1


(Homo sapiens (Human))
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 -8.89n/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)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50184830
PNG
(Ac-Lys(N-epsilon-biotinoyl)-Ala-Ala-Bth-Thr(PO3H2)...)
Show SMILES C[C@H](OP(O)(O)=O)[C@H](NC(=O)[C@H](Cc1csc2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NC(C)=O)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C63H86N13O16PS2/c1-34(68-58(83)44(69-37(4)77)18-11-13-27-66-52(79)22-10-9-21-50-54-47(33-95-50)73-63(88)75-54)56(81)67-35(2)57(82)71-46(31-41-32-94-49-20-8-7-17-42(41)49)60(85)74-53(36(3)92-93(89,90)91)62(87)76-28-14-12-19-48(76)61(86)72-45(59(84)70-43(55(65)80)25-26-51(64)78)30-38-23-24-39-15-5-6-16-40(39)29-38/h5-8,15-17,20,23-24,29,32,34-36,43-48,50,53-54H,9-14,18-19,21-22,25-28,30-31,33H2,1-4H3,(H2,64,78)(H2,65,80)(H,66,79)(H,67,81)(H,68,83)(H,69,77)(H,70,84)(H,71,82)(H,72,86)(H,74,85)(H2,73,75,88)(H2,89,90,91)/t34-,35-,36-,43-,44-,45-,46-,47-,48-,50-,53-,54-/m0/s1
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183n/an/an/an/an/an/an/an/a



Max Planck Research Unit for Enzymology of Protein Folding

Curated by ChEMBL


Assay Description
Inhibition of human Pin1 PPIase Activity by protease free PPIase assay


J Med Chem 49: 2147-50 (2006)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50056205
PNG
(CHEMBL3322216)
Show SMILES OC(=O)[C@@H](Cc1nc2cc(Cl)ccc2[nH]1)NC(=O)c1cc2ccccc2s1
Show InChI InChI=1/C19H14ClN3O3S/c20-11-5-6-12-13(8-11)22-17(21-12)9-14(19(25)26)23-18(24)16-7-10-3-1-2-4-15(10)27-16/h1-8,14H,9H2,(H,21,22)(H,23,24)(H,25,26)/t14-/s2
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189n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pin1 (unknown origin)


Bioorg Med Chem Lett 24: 4187-91 (2014)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50056219
PNG
(CHEMBL3322230)
Show SMILES OC(=O)C1(Cc2cc3ccc(F)cc3[nH]2)CSC(CCc2c(Cl)cccc2Cl)=N1
Show InChI InChI=1/C21H17Cl2FN2O2S/c22-16-2-1-3-17(23)15(16)6-7-19-26-21(11-29-19,20(27)28)10-14-8-12-4-5-13(24)9-18(12)25-14/h1-5,8-9,25H,6-7,10-11H2,(H,27,28)
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196n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pin1 (unknown origin)


Bioorg Med Chem Lett 24: 4187-91 (2014)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50345548
PNG
(CHEMBL1784538 | [13C,15N-Y,P,V]cyclic CRYPEVEIC | ...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CSSC[C@H](NC1=O)C(O)=O)C(C)C
Show InChI InChI=1S/C47H72N12O15S2/c1-5-24(4)37-44(71)56-32(46(73)74)22-76-75-21-27(48)38(65)52-28(8-6-18-51-47(49)50)39(66)55-31(20-25-10-12-26(60)13-11-25)45(72)59-19-7-9-33(59)42(69)53-29(14-16-34(61)62)40(67)57-36(23(2)3)43(70)54-30(41(68)58-37)15-17-35(63)64/h10-13,23-24,27-33,36-37,60H,5-9,14-22,48H2,1-4H3,(H,52,65)(H,53,69)(H,54,70)(H,55,66)(H,56,71)(H,57,67)(H,58,68)(H,61,62)(H,63,64)(H,73,74)(H4,49,50,51)/t24-,27-,28-,29-,30-,31-,32-,33-,36-,37-/m0/s1
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200n/an/an/an/an/an/an/an/a



The University of Western Ontario

Curated by ChEMBL


Assay Description
Competitive inhibition of human GST-tagged-Pin1 PPIase activity using WFYpSPR-pNA as substrate by Michaelis-Menton equation


J Med Chem 54: 3854-65 (2011)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50381013
PNG
(CHEMBL2017129)
Show SMILES Oc1c(cc(cc1[N+]([O-])=O)-c1cc(F)cc(c1O)[N+]([O-])=O)C(=O)C1CCc2ccccc12
Show InChI InChI=1S/C22H15FN2O7/c23-13-9-16(21(27)19(10-13)25(31)32)12-7-17(22(28)18(8-12)24(29)30)20(26)15-6-5-11-3-1-2-4-14(11)15/h1-4,7-10,15,27-28H,5-6H2
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200n/an/an/an/an/an/an/an/a



Chinese Academy of Medical Sciences& Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human Pin1


Bioorg Med Chem 20: 2992-9 (2012)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50184834
PNG
(Ac-Bth-Thr(PO3H2)-Pip-Nal-Gln-NH2 | CHEMBL380685)
Show SMILES C[C@@H](OP(O)(O)=O)[C@H](NC(=O)[C@H](Cc1csc2ccccc12)NC(C)=O)C(=O)N1CCCC[C@@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C41H50N7O11PS/c1-23(59-60(56,57)58)36(47-39(53)32(44-24(2)49)21-28-22-61-34-13-6-5-11-29(28)34)41(55)48-18-8-7-12-33(48)40(54)46-31(38(52)45-30(37(43)51)16-17-35(42)50)20-25-14-15-26-9-3-4-10-27(26)19-25/h3-6,9-11,13-15,19,22-23,30-33,36H,7-8,12,16-18,20-21H2,1-2H3,(H2,42,50)(H2,43,51)(H,44,49)(H,45,52)(H,46,54)(H,47,53)(H2,56,57,58)/t23-,30+,31+,32+,33-,36+/m1/s1
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258n/an/an/an/an/an/an/an/a



Max Planck Research Unit for Enzymology of Protein Folding

Curated by ChEMBL


Assay Description
Inhibition of human Pin1 PPIase Activity by protease free PPIase assay


J Med Chem 49: 2147-50 (2006)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50056220
PNG
(CHEMBL3322295)
Show SMILES OC(=O)C1(Cc2cc3ccc(F)cc3[nH]2)CSC(CC2c3ccccc3-c3ccccc23)=N1
Show InChI InChI=1/C27H21FN2O2S/c28-17-10-9-16-11-18(29-24(16)12-17)14-27(26(31)32)15-33-25(30-27)13-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,23,29H,13-15H2,(H,31,32)
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320n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pin1 (unknown origin)


Bioorg Med Chem Lett 24: 4187-91 (2014)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50056215
PNG
(CHEMBL3353367)
Show SMILES OC(=O)[C@@H](Cc1cc2ccc(F)cc2[nH]1)NC(=O)Cc1cccc2ccccc12
Show InChI InChI=1/C23H19FN2O3/c24-17-9-8-16-10-18(25-20(16)12-17)13-21(23(28)29)26-22(27)11-15-6-3-5-14-4-1-2-7-19(14)15/h1-10,12,21,25H,11,13H2,(H,26,27)(H,28,29)/t21-/s2
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400n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pin1 (unknown origin)


Bioorg Med Chem Lett 24: 4187-91 (2014)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50056207
PNG
(CHEMBL3322218)
Show SMILES Cc1ccc2[nH]c(C[C@@H](NC(=O)c3cc4ccccc4s3)C(O)=O)nc2c1
Show InChI InChI=1/C20H17N3O3S/c1-11-6-7-13-14(8-11)22-18(21-13)10-15(20(25)26)23-19(24)17-9-12-4-2-3-5-16(12)27-17/h2-9,15H,10H2,1H3,(H,21,22)(H,23,24)(H,25,26)/t15-/s2
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424n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pin1 (unknown origin)


Bioorg Med Chem Lett 24: 4187-91 (2014)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50345548
PNG
(CHEMBL1784538 | [13C,15N-Y,P,V]cyclic CRYPEVEIC | ...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CSSC[C@H](NC1=O)C(O)=O)C(C)C
Show InChI InChI=1S/C47H72N12O15S2/c1-5-24(4)37-44(71)56-32(46(73)74)22-76-75-21-27(48)38(65)52-28(8-6-18-51-47(49)50)39(66)55-31(20-25-10-12-26(60)13-11-25)45(72)59-19-7-9-33(59)42(69)53-29(14-16-34(61)62)40(67)57-36(23(2)3)43(70)54-30(41(68)58-37)15-17-35(63)64/h10-13,23-24,27-33,36-37,60H,5-9,14-22,48H2,1-4H3,(H,52,65)(H,53,69)(H,54,70)(H,55,66)(H,56,71)(H,57,67)(H,58,68)(H,61,62)(H,63,64)(H,73,74)(H4,49,50,51)/t24-,27-,28-,29-,30-,31-,32-,33-,36-,37-/m0/s1
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520n/an/an/an/an/an/an/an/a



The University of Western Ontario

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged-Pin1 PPIase activity using Suc-AEPF-pNA as substrate by Michaelis-Menton equation


J Med Chem 54: 3854-65 (2011)

More data for this
Ligand-Target Pair
PPIase Pin1


(Homo sapiens (Human))
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 -8.27n/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)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50184838
PNG
(Ac-Phe-Thr(PO3H2)-Pip-Nal-Gln-NH2 | CHEMBL383244)
Show SMILES C[C@H](OP(O)(O)=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N1CCCC[C@@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C39H50N7O11P/c1-23(57-58(54,55)56)34(45-37(51)30(42-24(2)47)21-25-10-4-3-5-11-25)39(53)46-19-9-8-14-32(46)38(52)44-31(36(50)43-29(35(41)49)17-18-33(40)48)22-26-15-16-27-12-6-7-13-28(27)20-26/h3-7,10-13,15-16,20,23,29-32,34H,8-9,14,17-19,21-22H2,1-2H3,(H2,40,48)(H2,41,49)(H,42,47)(H,43,50)(H,44,52)(H,45,51)(H2,54,55,56)/t23-,29-,30-,31-,32+,34-/m0/s1
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547n/an/an/an/an/an/an/an/a



Max Planck Research Unit for Enzymology of Protein Folding

Curated by ChEMBL


Assay Description
Inhibition of human Pin1 PPIase Activity by protease free PPIase assay


J Med Chem 49: 2147-50 (2006)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50056203
PNG
(CHEMBL3322296)
Show SMILES OC(=O)C1(Cc2cc3ccc(F)cc3[nH]2)CSC(\C=C\c2c(Cl)cccc2Cl)=N1
Show InChI InChI=1/C21H15Cl2FN2O2S/c22-16-2-1-3-17(23)15(16)6-7-19-26-21(11-29-19,20(27)28)10-14-8-12-4-5-13(24)9-18(12)25-14/h1-9,25H,10-11H2,(H,27,28)/b7-6+
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580n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pin1 (unknown origin)


Bioorg Med Chem Lett 24: 4187-91 (2014)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50056206
PNG
(CHEMBL3322217)
Show SMILES Cc1ccc2[nH]c(C[C@@H](NC(=O)c3ccc4ccccc4c3)C(O)=O)nc2c1
Show InChI InChI=1/C22H19N3O3/c1-13-6-9-17-18(10-13)24-20(23-17)12-19(22(27)28)25-21(26)16-8-7-14-4-2-3-5-15(14)11-16/h2-11,19H,12H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t19-/s2
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780n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pin1 (unknown origin)


Bioorg Med Chem Lett 24: 4187-91 (2014)

More data for this
Ligand-Target Pair
PPIase Pin1


(Homo sapiens (Human))
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 -8.03n/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)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50314706
PNG
((R)-2-(2-naphthamido)-5-(3-fluorophenyl)pent-4-eno...)
Show SMILES OC(=O)[C@@H](C\C=C\c1cccc(F)c1)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C22H18FNO3/c23-19-9-3-5-15(13-19)6-4-10-20(22(26)27)24-21(25)18-12-11-16-7-1-2-8-17(16)14-18/h1-9,11-14,20H,10H2,(H,24,25)(H,26,27)/b6-4+/t20-/m1/s1
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890n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of WFYpSPFLE from human Pin1 catalytic domain after 10-20 mins by fluorescence polarization assay


Bioorg Med Chem Lett 20: 2210-4 (2010)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50056210
PNG
(CHEMBL3322222)
Show SMILES OC(=O)C(Cc1nc2ccccc2[nH]1)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1/C21H17N3O3/c25-20(15-10-9-13-5-1-2-6-14(13)11-15)24-18(21(26)27)12-19-22-16-7-3-4-8-17(16)23-19/h1-11,18H,12H2,(H,22,23)(H,24,25)(H,26,27)
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1.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pin1 (unknown origin)


Bioorg Med Chem Lett 24: 4187-91 (2014)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50056218
PNG
(CHEMBL3322229)
Show SMILES OC(=O)C1(Cc2cc3ccc(F)cc3[nH]2)CSC(=N1)c1ccc2ccccc2c1
Show InChI InChI=1/C23H17FN2O2S/c24-18-8-7-16-10-19(25-20(16)11-18)12-23(22(27)28)13-29-21(26-23)17-6-5-14-3-1-2-4-15(14)9-17/h1-11,25H,12-13H2,(H,27,28)
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1.36E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pin1 (unknown origin)


Bioorg Med Chem Lett 24: 4187-91 (2014)

More data for this
Ligand-Target Pair
PPIase Pin1


(Homo sapiens (Human))
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 -7.60n/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)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50314705
PNG
((2R,4E)-2-[(naphthalen-2-ylcarbonyl)amino]-5-pheny...)
Show SMILES OC(=O)[C@@H](C\C=C\c1ccccc1)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C22H19NO3/c24-21(19-14-13-17-10-4-5-11-18(17)15-19)23-20(22(25)26)12-6-9-16-7-2-1-3-8-16/h1-11,13-15,20H,12H2,(H,23,24)(H,25,26)/b9-6+/t20-/m1/s1
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1.80E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of WFYpSPFLE from human Pin1 catalytic domain after 10-20 mins by fluorescence polarization assay


Bioorg Med Chem Lett 20: 2210-4 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50314682
PNG
((R)-2-(2-naphthamido)-3-(3-(trifluoromethyl)phenyl...)
Show SMILES OC(=O)[C@@H](Cc1cccc(c1)C(F)(F)F)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C21H16F3NO3/c22-21(23,24)17-7-3-4-13(10-17)11-18(20(27)28)25-19(26)16-9-8-14-5-1-2-6-15(14)12-16/h1-10,12,18H,11H2,(H,25,26)(H,27,28)/t18-/m1/s1
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1.80E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of WFYpSPFLE from human Pin1 catalytic domain after 10-20 mins by fluorescence polarization assay


Bioorg Med Chem Lett 20: 2210-4 (2010)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50314701
PNG
((R)-2-(2-naphthamido)-5-(3-fluorophenyl)pent-4-yno...)
Show SMILES OC(=O)[C@@H](CC#Cc1cccc(F)c1)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C22H16FNO3/c23-19-9-3-5-15(13-19)6-4-10-20(22(26)27)24-21(25)18-12-11-16-7-1-2-8-17(16)14-18/h1-3,5,7-9,11-14,20H,10H2,(H,24,25)(H,26,27)/t20-/m1/s1
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1.87E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of WFYpSPFLE from human Pin1 catalytic domain after 10-20 mins by fluorescence polarization assay


Bioorg Med Chem Lett 20: 2210-4 (2010)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50056212
PNG
(CHEMBL3322224)
Show SMILES OC(=O)C(Cc1cc2ccccc2[nH]1)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1/C22H18N2O3/c25-21(17-10-9-14-5-1-2-6-15(14)11-17)24-20(22(26)27)13-18-12-16-7-3-4-8-19(16)23-18/h1-12,20,23H,13H2,(H,24,25)(H,26,27)
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1.90E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pin1 (unknown origin)


Bioorg Med Chem Lett 24: 4187-91 (2014)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50314685
PNG
((R)-3-(2-naphthamido)-4-(3-chlorophenyl)butanoic a...)
Show SMILES OC(=O)C[C@@H](Cc1cccc(Cl)c1)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C21H18ClNO3/c22-18-7-3-4-14(10-18)11-19(13-20(24)25)23-21(26)17-9-8-15-5-1-2-6-16(15)12-17/h1-10,12,19H,11,13H2,(H,23,26)(H,24,25)/t19-/m1/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of WFYpSPFLE from human Pin1 catalytic domain after 10-20 mins by fluorescence polarization assay


Bioorg Med Chem Lett 20: 2210-4 (2010)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50314708
PNG
((R)-2-(2-naphthamido)-5-cyclohexenylpent-4-enoic a...)
Show SMILES OC(=O)[C@@H](C\C=C\C1=CCCCC1)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C22H23NO3/c24-21(19-14-13-17-10-4-5-11-18(17)15-19)23-20(22(25)26)12-6-9-16-7-2-1-3-8-16/h4-7,9-11,13-15,20H,1-3,8,12H2,(H,23,24)(H,25,26)/b9-6+/t20-/m1/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of WFYpSPFLE from human Pin1 catalytic domain after 10-20 mins by fluorescence polarization assay


Bioorg Med Chem Lett 20: 2210-4 (2010)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50314688
PNG
((R)-2-(2-naphthamido)-3-(3,4-dichlorophenyl)propan...)
Show SMILES OC(=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H15Cl2NO3/c21-16-8-5-12(9-17(16)22)10-18(20(25)26)23-19(24)15-7-6-13-3-1-2-4-14(13)11-15/h1-9,11,18H,10H2,(H,23,24)(H,25,26)/t18-/m1/s1
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2.20E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of WFYpSPFLE from human Pin1 catalytic domain after 10-20 mins by fluorescence polarization assay


Bioorg Med Chem Lett 20: 2210-4 (2010)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50314713
PNG
((R)-3-(2-naphthamido)-4-(3-cyanophenyl)butanoic ac...)
Show SMILES OC(=O)C[C@@H](Cc1cccc(c1)C#N)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C22H18N2O3/c23-14-16-5-3-4-15(10-16)11-20(13-21(25)26)24-22(27)19-9-8-17-6-1-2-7-18(17)12-19/h1-10,12,20H,11,13H2,(H,24,27)(H,25,26)/t20-/m1/s1
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2.30E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of WFYpSPFLE from human Pin1 catalytic domain after 10-20 mins by fluorescence polarization assay


Bioorg Med Chem Lett 20: 2210-4 (2010)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50314710
PNG
((R)-2-(2-naphthamido)-3-m-tolylpropanoic acid | CH...)
Show SMILES Cc1cccc(C[C@@H](NC(=O)c2ccc3ccccc3c2)C(O)=O)c1
Show InChI InChI=1S/C21H19NO3/c1-14-5-4-6-15(11-14)12-19(21(24)25)22-20(23)18-10-9-16-7-2-3-8-17(16)13-18/h2-11,13,19H,12H2,1H3,(H,22,23)(H,24,25)/t19-/m1/s1
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2.80E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of WFYpSPFLE from human Pin1 catalytic domain after 10-20 mins by fluorescence polarization assay


Bioorg Med Chem Lett 20: 2210-4 (2010)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50314690
PNG
((R)-2-(2-naphthamido)-3-(4-cyanophenyl)propanoic a...)
Show SMILES OC(=O)[C@@H](Cc1ccc(cc1)C#N)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C21H16N2O3/c22-13-15-7-5-14(6-8-15)11-19(21(25)26)23-20(24)18-10-9-16-3-1-2-4-17(16)12-18/h1-10,12,19H,11H2,(H,23,24)(H,25,26)/t19-/m1/s1
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3.00E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of WFYpSPFLE from human Pin1 catalytic domain after 10-20 mins by fluorescence polarization assay


Bioorg Med Chem Lett 20: 2210-4 (2010)

More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50314712
PNG
((R)-2-(2-naphthamido)-3-(3-cyanophenyl)propanoic a...)
Show SMILES OC(=O)[C@@H](Cc1cccc(c1)C#N)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C21H16N2O3/c22-13-15-5-3-4-14(10-15)11-19(21(25)26)23-20(24)18-9-8-16-6-1-2-7-17(16)12-18/h1-10,12,19H,11H2,(H,23,24)(H,25,26)/t19-/m1/s1
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3.20E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of WFYpSPFLE from human Pin1 catalytic domain after 10-20 mins by fluorescence polarization assay


Bioorg Med Chem Lett 20: 2210-4 (2010)

More data for this
Ligand-Target Pair
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