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PubMed code 25091930

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50056217
PNG
(CHEMBL3353369)
Show SMILES OC(=O)[C@@H](Cc1cc2ccc(F)cc2[nH]1)NC(=O)CC1c2ccccc2-c2ccccc12 |r|
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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)


Article DOI: 10.1016/j.bmcl.2014.07.044
BindingDB Entry DOI: 10.7270/Q2QJ7JX1
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 |r|
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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)


Article DOI: 10.1016/j.bmcl.2014.07.044
BindingDB Entry DOI: 10.7270/Q2QJ7JX1
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 |r|
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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)


Article DOI: 10.1016/j.bmcl.2014.07.044
BindingDB Entry DOI: 10.7270/Q2QJ7JX1
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 |r|
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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)


Article DOI: 10.1016/j.bmcl.2014.07.044
BindingDB Entry DOI: 10.7270/Q2QJ7JX1
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 |r|
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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)


Article DOI: 10.1016/j.bmcl.2014.07.044
BindingDB Entry DOI: 10.7270/Q2QJ7JX1
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 |r|
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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)


Article DOI: 10.1016/j.bmcl.2014.07.044
BindingDB Entry DOI: 10.7270/Q2QJ7JX1
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 |r|
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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)


Article DOI: 10.1016/j.bmcl.2014.07.044
BindingDB Entry DOI: 10.7270/Q2QJ7JX1
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 |c:30|
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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)


Article DOI: 10.1016/j.bmcl.2014.07.044
BindingDB Entry DOI: 10.7270/Q2QJ7JX1
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 |c:36|
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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)


Article DOI: 10.1016/j.bmcl.2014.07.044
BindingDB Entry DOI: 10.7270/Q2QJ7JX1
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 |r|
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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)


Article DOI: 10.1016/j.bmcl.2014.07.044
BindingDB Entry DOI: 10.7270/Q2QJ7JX1
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 |r|
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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)


Article DOI: 10.1016/j.bmcl.2014.07.044
BindingDB Entry DOI: 10.7270/Q2QJ7JX1
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 |c:30|
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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)


Article DOI: 10.1016/j.bmcl.2014.07.044
BindingDB Entry DOI: 10.7270/Q2QJ7JX1
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 |r|
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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)


Article DOI: 10.1016/j.bmcl.2014.07.044
BindingDB Entry DOI: 10.7270/Q2QJ7JX1
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
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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)


Article DOI: 10.1016/j.bmcl.2014.07.044
BindingDB Entry DOI: 10.7270/Q2QJ7JX1
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 |c:19|
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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)


Article DOI: 10.1016/j.bmcl.2014.07.044
BindingDB Entry DOI: 10.7270/Q2QJ7JX1
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
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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)


Article DOI: 10.1016/j.bmcl.2014.07.044
BindingDB Entry DOI: 10.7270/Q2QJ7JX1
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50056213
PNG
(CHEMBL3322223)
Show SMILES OC(=O)C(Cc1cc2ccccc2o1)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C22H17NO4/c24-21(17-10-9-14-5-1-2-6-15(14)11-17)23-19(22(25)26)13-18-12-16-7-3-4-8-20(16)27-18/h1-12,19H,13H2,(H,23,24)(H,25,26)
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1.00E+4n/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)


Article DOI: 10.1016/j.bmcl.2014.07.044
BindingDB Entry DOI: 10.7270/Q2QJ7JX1
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50056209
PNG
(CHEMBL3322221)
Show SMILES OC(=O)[C@@H](Cc1nc2ccccc2s1)NC(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C21H16N2O3S/c24-20(15-10-9-13-5-1-2-6-14(13)11-15)23-17(21(25)26)12-19-22-16-7-3-4-8-18(16)27-19/h1-11,17H,12H2,(H,23,24)(H,25,26)/t17-/m1/s1
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4.60E+4n/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)


Article DOI: 10.1016/j.bmcl.2014.07.044
BindingDB Entry DOI: 10.7270/Q2QJ7JX1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%