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Compile Data Set for Download or QSAR

Found 47 hits Enz. Inhib. hit(s) with all data for entry = 50002648   
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))		BDBM34012
PNG
(3-fluorophenylalanine derivative, 21b)
Show SMILES OP(O)(=O)OC[C@@H](Cc1cccc(F)c1)NC(=O)c1cc2ccccc2s1 |r|
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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n/an/a 50n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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n/an/a 820n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461119
PNG
(CHEMBL4225962)
Show SMILES [O-][N+](=O)c1cnc(Cl)nc1Oc1cccc2ocnc12
Show InChI InChI=1S/C11H5ClN4O4/c12-11-13-4-6(16(17)18)10(15-11)20-8-3-1-2-7-9(8)14-5-19-7/h1-5H
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n/an/a 1.68E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461092
PNG
(CHEMBL4227633)
Show SMILES Cn1nc(cc1Oc1nc(Cl)ncc1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C14H10ClN5O3/c1-19-12(7-10(18-19)9-5-3-2-4-6-9)23-13-11(20(21)22)8-16-14(15)17-13/h2-8H,1H3
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n/an/a 2.17E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461096
PNG
(CHEMBL4224912)
Show SMILES [O-][N+](=O)c1cnc(Cl)nc1Oc1ccccc1
Show InChI InChI=1S/C10H6ClN3O3/c11-10-12-6-8(14(15)16)9(13-10)17-7-4-2-1-3-5-7/h1-6H
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n/an/a 2.24E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461098
PNG
(CHEMBL4225484)
Show SMILES [O-][N+](=O)c1cnc(Cl)nc1Oc1ccccc1F
Show InChI InChI=1S/C10H5ClFN3O3/c11-10-13-5-7(15(16)17)9(14-10)18-8-4-2-1-3-6(8)12/h1-5H
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n/an/a 2.52E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
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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n/an/a 2.96E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461099
PNG
(CHEMBL4229104)
Show SMILES [O-][N+](=O)c1cnc(Cl)nc1Oc1ccccn1
Show InChI InChI=1S/C9H5ClN4O3/c10-9-12-5-6(14(15)16)8(13-9)17-7-3-1-2-4-11-7/h1-5H
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n/an/a 3.48E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461118
PNG
(CHEMBL4225677)
Show SMILES COc1ccccc1Oc1nc(Cl)ncc1[N+]([O-])=O
Show InChI InChI=1S/C11H8ClN3O4/c1-18-8-4-2-3-5-9(8)19-10-7(15(16)17)6-13-11(12)14-10/h2-6H,1H3
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n/an/a 4.03E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461127
PNG
(CHEMBL4225167)
Show SMILES [O-][N+](=O)c1cnc(Cl)nc1OCCc1ccccc1
Show InChI InChI=1S/C12H10ClN3O3/c13-12-14-8-10(16(17)18)11(15-12)19-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2
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n/an/a 4.08E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461131
PNG
(CHEMBL4227675)
Show SMILES Clc1ncc(C#N)c(Oc2ccccc2)n1
Show InChI InChI=1S/C11H6ClN3O/c12-11-14-7-8(6-13)10(15-11)16-9-4-2-1-3-5-9/h1-5,7H
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n/an/a 4.36E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461130
PNG
(CHEMBL4228988)
Show SMILES COc1cccc(Oc2nc(Cl)ncc2[N+]([O-])=O)c1
Show InChI InChI=1S/C11H8ClN3O4/c1-18-7-3-2-4-8(5-7)19-10-9(15(16)17)6-13-11(12)14-10/h2-6H,1H3
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n/an/a 5.04E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461126
PNG
(CHEMBL4228852)
Show SMILES CS(=O)(=O)Nc1ccccc1Oc1nc(Cl)ncc1[N+]([O-])=O
Show InChI InChI=1S/C11H9ClN4O5S/c1-22(19,20)15-7-4-2-3-5-9(7)21-10-8(16(17)18)6-13-11(12)14-10/h2-6,15H,1H3
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n/an/a 5.20E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM24777
PNG
(5-hydroxy-1,4-dihydronaphthalene-1,4-dione | 5-hyd...)
Show SMILES Oc1cccc2C(=O)C=CC(=O)c12 |c:8|
Show InChI InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
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n/an/a 5.90E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461104
PNG
(CHEMBL4228894)
Show SMILES [O-][N+](=O)c1cnc(Cl)nc1Nc1ccccc1
Show InChI InChI=1S/C10H7ClN4O2/c11-10-12-6-8(15(16)17)9(14-10)13-7-4-2-1-3-5-7/h1-6H,(H,12,13,14)
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n/an/a 6.66E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461090
PNG
(CHEMBL4226619)
Show SMILES [O-][N+](=O)c1cnc(OCCc2ccccc2)nc1Cl
Show InChI InChI=1S/C12H10ClN3O3/c13-11-10(16(17)18)8-14-12(15-11)19-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2
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n/an/a 7.27E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461128
PNG
(CHEMBL4227465)
Show SMILES [O-][N+](=O)c1cnc(OCc2ccccc2)nc1Cl
Show InChI InChI=1S/C11H8ClN3O3/c12-10-9(15(16)17)6-13-11(14-10)18-7-8-4-2-1-3-5-8/h1-6H,7H2
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n/an/a 7.28E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461102
PNG
(CHEMBL4226274)
Show SMILES [O-][N+](=O)c1cnc(Cl)nc1OCc1ccccc1
Show InChI InChI=1S/C11H8ClN3O3/c12-11-13-6-9(15(16)17)10(14-11)18-7-8-4-2-1-3-5-8/h1-6H,7H2
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n/an/a 8.33E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461095
PNG
(CHEMBL4225761)
Show SMILES [O-][N+](=O)c1cnc(Cl)nc1Oc1ccccc1C#N
Show InChI InChI=1S/C11H5ClN4O3/c12-11-14-6-8(16(17)18)10(15-11)19-9-4-2-1-3-7(9)5-13/h1-4,6H
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n/an/a 9.05E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461116
PNG
(CHEMBL4225018)
Show SMILES Clc1ncc(-c2ncco2)c(Nc2ccccc2)n1
Show InChI InChI=1S/C13H9ClN4O/c14-13-16-8-10(12-15-6-7-19-12)11(18-13)17-9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
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n/an/a 9.87E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461108
PNG
(CHEMBL4228251)
Show SMILES [O-][N+](=O)c1cnc(CCc2ccccc2)nc1Cl
Show InChI InChI=1S/C12H10ClN3O2/c13-12-10(16(17)18)8-14-11(15-12)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2
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n/an/a 1.39E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461100
PNG
(CHEMBL4226801)
Show SMILES [O-][N+](=O)c1cnc(Cl)nc1Oc1ccc2ccccc2c1
Show InChI InChI=1S/C14H8ClN3O3/c15-14-16-8-12(18(19)20)13(17-14)21-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H
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n/an/a 1.66E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461114
PNG
(CHEMBL4228970)
Show SMILES OC(=O)c1cnc(Cl)nc1Oc1cccc2ocnc12
Show InChI InChI=1S/C12H6ClN3O4/c13-12-14-4-6(11(17)18)10(16-12)20-8-3-1-2-7-9(8)15-5-19-7/h1-5H,(H,17,18)
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n/an/a 1.89E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461091
PNG
(CHEMBL4224760)
Show SMILES Clc1ncc(N2C(=O)C=CC2=O)c(Nc2ccccc2)n1 |c:8|
Show InChI InChI=1S/C14H9ClN4O2/c15-14-16-8-10(19-11(20)6-7-12(19)21)13(18-14)17-9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
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n/an/a 2.02E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461089
PNG
(CHEMBL4225692)
Show SMILES [O-][N+](=O)c1cnc(Cl)nc1Oc1cccc2ccccc12
Show InChI InChI=1S/C14H8ClN3O3/c15-14-16-8-11(18(19)20)13(17-14)21-12-7-3-5-9-4-1-2-6-10(9)12/h1-8H
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n/an/a 2.26E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461117
PNG
(CHEMBL4229041)
Show SMILES OC(=O)C(=O)Nc1cnc(Cl)nc1Oc1ccccc1C#N
Show InChI InChI=1S/C13H7ClN4O4/c14-13-16-6-8(17-10(19)12(20)21)11(18-13)22-9-4-2-1-3-7(9)5-15/h1-4,6H,(H,17,19)(H,20,21)
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n/an/a 2.67E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461097
PNG
(CHEMBL4226357)
Show SMILES Nc1ccccc1Oc1nc(Cl)ncc1[N+]([O-])=O
Show InChI InChI=1S/C10H7ClN4O3/c11-10-13-5-7(15(16)17)9(14-10)18-8-4-2-1-3-6(8)12/h1-5H,12H2
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n/an/a 3.35E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461101
PNG
(CHEMBL4226537)
Show SMILES [O-][N+](=O)c1cnc(Cl)nc1Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H10ClN3O3/c17-16-18-10-14(20(21)22)15(19-16)23-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H
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n/an/a 3.40E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461113
PNG
(CHEMBL4228140)
Show SMILES COC(=O)c1cnc(Cl)nc1Oc1cccc2ocnc12
Show InChI InChI=1S/C13H8ClN3O4/c1-19-12(18)7-5-15-13(14)17-11(7)21-9-4-2-3-8-10(9)16-6-20-8/h2-6H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461115
PNG
(CHEMBL4225606)
Show SMILES Clc1ncc(N2C(=O)CCC2=O)c(Nc2ccccc2)n1
Show InChI InChI=1S/C14H11ClN4O2/c15-14-16-8-10(19-11(20)6-7-12(19)21)13(18-14)17-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,16,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461129
PNG
(CHEMBL4228271)
Show SMILES Clc1cnc(Cl)nc1Oc1ccccc1
Show InChI InChI=1S/C10H6Cl2N2O/c11-8-6-13-10(12)14-9(8)15-7-4-2-1-3-5-7/h1-6H
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461120
PNG
(CHEMBL4226020)
Show SMILES [O-][N+](=O)c1cnc(Cl)nc1OC1CCCC1
Show InChI InChI=1S/C9H10ClN3O3/c10-9-11-5-7(13(14)15)8(12-9)16-6-3-1-2-4-6/h5-6H,1-4H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461121
PNG
(CHEMBL4226348)
Show SMILES CNc1nc(Cl)ncc1[N+]([O-])=O
Show InChI InChI=1S/C5H5ClN4O2/c1-7-4-3(10(11)12)2-8-5(6)9-4/h2H,1H3,(H,7,8,9)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461122
PNG
(CHEMBL4226887)
Show SMILES [O-][N+](=O)c1cnc(Cl)cc1Oc1cccc2ocnc12
Show InChI InChI=1S/C12H6ClN3O4/c13-11-4-10(7(5-14-11)16(17)18)20-9-3-1-2-8-12(9)15-6-19-8/h1-6H
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461123
PNG
(CHEMBL4227356)
Show SMILES Cc1cnc(Cl)nc1Oc1ccccc1
Show InChI InChI=1S/C11H9ClN2O/c1-8-7-13-11(12)14-10(8)15-9-5-3-2-4-6-9/h2-7H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461124
PNG
(CHEMBL4227407)
Show SMILES FC(F)(F)c1cnc(Cl)nc1Oc1cccc2ocnc12
Show InChI InChI=1S/C12H5ClF3N3O2/c13-11-17-4-6(12(14,15)16)10(19-11)21-8-3-1-2-7-9(8)18-5-20-7/h1-5H
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461112
PNG
(CHEMBL4226558)
Show SMILES FC(F)(F)c1cnc(Cl)nc1Oc1ccccc1
Show InChI InChI=1S/C11H6ClF3N2O/c12-10-16-6-8(11(13,14)15)9(17-10)18-7-4-2-1-3-5-7/h1-6H
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461111
PNG
(CHEMBL4228192)
Show SMILES Cc1cnc(Cl)nc1Oc1cccc2ocnc12
Show InChI InChI=1S/C12H8ClN3O2/c1-7-5-14-12(13)16-11(7)18-9-4-2-3-8-10(9)15-6-17-8/h2-6H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461110
PNG
(CHEMBL4227941)
Show SMILES [O-][N+](=O)c1cnc(nc1Oc1cccc2ocnc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C21H12N4O4/c26-25(27)16-11-22-20(15-9-8-13-4-1-2-5-14(13)10-15)24-21(16)29-18-7-3-6-17-19(18)23-12-28-17/h1-12H
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461109
PNG
(CHEMBL4227088)
Show SMILES [O-][N+](=O)c1cnc(nc1Oc1cccc2ocnc12)-c1ccccc1
Show InChI InChI=1S/C17H10N4O4/c22-21(23)12-9-18-16(11-5-2-1-3-6-11)20-17(12)25-14-8-4-7-13-15(14)19-10-24-13/h1-10H
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461107
PNG
(CHEMBL4227732)
Show SMILES [O-][N+](=O)c1ccc(Cl)nc1Oc1cccc2ocnc12
Show InChI InChI=1S/C12H6ClN3O4/c13-10-5-4-7(16(17)18)12(15-10)20-9-3-1-2-8-11(9)14-6-19-8/h1-6H
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461106
PNG
(CHEMBL4226104)
Show SMILES [O-][N+](=O)c1cnc(Cl)nc1NC1CCCCC1
Show InChI InChI=1S/C10H13ClN4O2/c11-10-12-6-8(15(16)17)9(14-10)13-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,12,13,14)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461105
PNG
(CHEMBL4225916)
Show SMILES [O-][N+](=O)c1cnc(Cl)nc1NCCc1ccccc1
Show InChI InChI=1S/C12H11ClN4O2/c13-12-15-8-10(17(18)19)11(16-12)14-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461103
PNG
(CHEMBL4224906)
Show SMILES [O-][N+](=O)c1cnc(Cl)nc1OC1CCCCC1
Show InChI InChI=1S/C10H12ClN3O3/c11-10-12-6-8(14(15)16)9(13-10)17-7-4-2-1-3-5-7/h6-7H,1-5H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461125
PNG
(CHEMBL4225874)
Show SMILES Clc1ncc(-c2nnco2)c(Nc2ccccc2)n1
Show InChI InChI=1S/C12H8ClN5O/c13-12-14-6-9(11-18-15-7-19-11)10(17-12)16-8-4-2-1-3-5-8/h1-7H,(H,14,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461093
PNG
(CHEMBL1241353)
Show SMILES [O-][N+](=O)c1cnc(Cl)nc1NC1CCCC1
Show InChI InChI=1S/C9H11ClN4O2/c10-9-11-5-7(14(15)16)8(13-9)12-6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12,13)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461094
PNG
(CHEMBL4227405)
Show SMILES [O-][N+](=O)c1cncnc1Oc1cccc2ocnc12
Show InChI InChI=1S/C11H6N4O4/c16-15(17)7-4-12-5-13-11(7)19-9-3-1-2-8-10(9)14-6-18-8/h1-6H
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair