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Compile Data Set for Download or QSAR

Found 350 hits Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 NIMA-interacting 1


(Homo sapiens)
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


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


(Homo sapiens)
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


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


(Homo sapiens)
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


Citation and Details
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...


Citation and Details
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...


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


(Homo sapiens)
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)


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


(Homo sapiens)
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


Citation and Details
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...


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


(Homo sapiens)
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


Citation and Details
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...


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


(Homo sapiens)
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)


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


(Homo sapiens)
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)


Citation and Details
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...


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


(Homo sapiens)
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)


Citation and Details
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...


Citation and Details
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...


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


(Homo sapiens)
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)


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


(Homo sapiens)
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)


Citation and Details
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...


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


(Homo sapiens)
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


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


(Homo sapiens)
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


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


(Homo sapiens)
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)


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


(Homo sapiens)
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)


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


(Homo sapiens)
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


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


(Homo sapiens)
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


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


(Homo sapiens)
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


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


(Homo sapiens)
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)


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


(Homo sapiens)
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)


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


(Homo sapiens)
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)


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


(Homo sapiens)
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


Citation and Details
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...


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


(Homo sapiens)
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


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


(Homo sapiens)
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)


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


(Homo sapiens)
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)


Citation and Details
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...


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


(Homo sapiens)
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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PubMed
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


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


(Homo sapiens)
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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PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Pin1 (unknown origin)


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


(Homo sapiens)
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)


Citation and Details
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...


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


(Homo sapiens)
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


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


(Homo sapiens)
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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PubMed
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


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


(Homo sapiens)
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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PubMed
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


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


(Homo sapiens)
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)


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


(Homo sapiens)
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


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


(Homo sapiens)
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


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


(Homo sapiens)
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


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


(Homo sapiens)
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


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


(Homo sapiens)
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


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


(Homo sapiens)
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


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


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
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