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Compile Data Set for Download or QSAR

Found 57 hits Enz. Inhib. hit(s) with all data for entry = 50011901   
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))
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 |r|
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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6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
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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6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Pin1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552327
PNG
(CHEMBL4751817)
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 |r|
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20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged Pin1 (unknown origin) using Suc-Ala-pSer-Pro-Phe-pNA as substrate preincubated with enzyme for 12 hrs followed by substrate ...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552328
PNG
(CHEMBL4750217)
Show SMILES CCOC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CCl |r|
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48n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged Pin1 (unknown origin) using Suc-Ala-pSer-Pro-Phe-pNA as substrate preincubated with enzyme for 12 hrs followed by substrate ...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
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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820n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged Pin1 (unknown origin) using Suc-Ala-pSer-Pro-Phe-pNA, Suc-Ala-Glu-Pro-Phe-pNA or Suc-Ala-Ala-Pro-Phe-pNA as substrate preinc...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
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 |r|
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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n/an/a 90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552329
PNG
(CHEMBL4762559)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)\N=C1\C=C(SCC(O)=O)C(=O)c2ccccc12 |t:16|
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n/an/a 640n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant PIN1 assessed as inhibition of MCA release using Suc-AEPF-MCA peptide as substrate preincubated with enzyme for 3 hrs...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552319
PNG
(CHEMBL4747066)
Show SMILES OC(=O)CNc1nc(sc1C(=O)Nc1ccc2ccccc2c1)N1CC2(COC2)C1
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n/an/a 950n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552294
PNG
(CHEMBL4781899)
Show SMILES OC1CCN(CC1)c1nc(NCC(O)=O)c(s1)C(=O)Nc1ccc2ccccc2c1
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n/an/a 3.04E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552307
PNG
(CHEMBL4742724)
Show SMILES CC1(C)CCN(CC1)c1nc(NCC(O)=O)c(s1)C(=O)Nc1ccc2ccccc2c1
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n/an/a 3.63E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552282
PNG
(CHEMBL4783622)
Show SMILES O[C@@H]1CCN(C1)c1nc(NCC(O)=O)c(s1)C(=O)Nc1ccc2ccccc2c1 |r|
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n/an/a 3.75E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552308
PNG
(CHEMBL4745501)
Show SMILES CC1(O)CCN(CC1)c1nc(NCC(O)=O)c(s1)C(=O)Nc1ccc2ccccc2c1
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n/an/a 3.77E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552309
PNG
(CHEMBL4753072)
Show SMILES OC(=O)CNc1nc(sc1C(=O)Nc1ccc2ccccc2c1)N1CCC=CC1 |c:29|
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n/an/a 4.71E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM24776
PNG
(1,4-Naphthoquinone | 1,4-Naphthoquinone (5a) | 1,4...)
Show SMILES O=C1C=CC(=O)c2ccccc12 |c:2|
Show InChI InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
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n/an/a 5.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant Pin1 using Suc-AEPF-NH-Np as substrate by alpha-chymotrypsin based assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552285
PNG
(CHEMBL4759454)
Show SMILES CO[C@@H]1CCN(C1)c1nc(NCC(O)=O)c(s1)C(=O)Nc1ccc2ccccc2c1 |r|
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n/an/a 5.04E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552295
PNG
(CHEMBL4765142)
Show SMILES OC1CCCN(C1)c1nc(NCC(O)=O)c(s1)C(=O)Nc1ccc2ccccc2c1
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n/an/a 5.07E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552288
PNG
(CHEMBL4757682)
Show SMILES CCO[C@H]1CCN(C1)c1nc(NCC(O)=O)c(s1)C(=O)Nc1ccc2ccccc2c1 |r|
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n/an/a 5.26E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552280
PNG
(CHEMBL4790783)
Show SMILES OC(=O)CNc1nc(sc1C(=O)Nc1ccc2ccccc2c1)N1CCCCCC1
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n/an/a 5.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552320
PNG
(CHEMBL4743739)
Show SMILES OC(=O)CNc1nc(sc1C(=O)Nc1ccc2ccccc2c1)N1CC2(CCC2)C1
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n/an/a 5.34E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552311
PNG
(CHEMBL4760814)
Show SMILES CC1CN(CCN1)c1nc(NCC(O)=O)c(s1)C(=O)Nc1ccc2ccccc2c1
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n/an/a 6.55E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552301
PNG
(CHEMBL4761110)
Show SMILES OC(=O)CNc1nc(sc1C(=O)Nc1ccc2ccccc2c1)N1CCCC2(C1)OCCO2
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n/an/a 6.78E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552284
PNG
(CHEMBL4777300)
Show SMILES COC1CCN(C1)c1nc(NCC(O)=O)c(s1)C(=O)Nc1ccc2ccccc2c1
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n/an/a 7.15E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552303
PNG
(CHEMBL4797407)
Show SMILES OC1CC2CCC(C1)N2c1nc(NCC(O)=O)c(s1)C(=O)Nc1ccc2ccccc2c1
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n/an/a 7.43E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552292
PNG
(CHEMBL4753616)
Show SMILES CC1CCN(CC1)c1nc(NCC(O)=O)c(s1)C(=O)Nc1ccc2ccccc2c1
PDB
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n/an/a 7.64E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552302
PNG
(CHEMBL4749012)
Show SMILES OCC1CCN(CC1)c1nc(NCC(O)=O)c(s1)C(=O)Nc1ccc2ccccc2c1
PDB
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n/an/a 8.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552283
PNG
(CHEMBL4753356)
Show SMILES O[C@H]1CCN(C1)c1nc(NCC(O)=O)c(s1)C(=O)Nc1ccc2ccccc2c1 |r|
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n/an/a 8.46E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552298
PNG
(CHEMBL4765114)
Show SMILES CO[C@H]1CCCN(C1)c1nc(NCC(O)=O)c(s1)C(=O)Nc1ccc2ccccc2c1 |r|
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n/an/a 8.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552297
PNG
(CHEMBL4750328)
Show SMILES COC1CCCN(C1)c1nc(NCC(O)=O)c(s1)C(=O)Nc1ccc2ccccc2c1
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n/an/a 8.74E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552299
PNG
(CHEMBL4787691)
Show SMILES CO[C@@H]1CCCN(C1)c1nc(NCC(O)=O)c(s1)C(=O)Nc1ccc2ccccc2c1 |r|
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n/an/a 9.09E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552318
PNG
(CHEMBL4759384)
Show SMILES OC(=O)CNc1nc(sc1C(=O)Nc1ccc2ccccc2c1)N1CCSCC1
PDB
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n/an/a 9.32E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552290
PNG
(CHEMBL4789882)
Show SMILES OC(=O)CNc1nc(sc1C(=O)Nc1ccc2ccccc2c1)N1CC[C@H](F)C1 |r|
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n/an/a 1.01E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552278
PNG
(CHEMBL4741812)
Show SMILES OC(=O)CNc1nc(sc1C(=O)Nc1ccc2ccccc2c1)N1CCCCC1
PDB
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n/an/a 1.08E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552316
PNG
(CHEMBL4785937)
Show SMILES OC(=O)CNc1nc(sc1C(=O)Nc1ccc2ccccc2c1)N1CCNC(=O)C1
PDB
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n/an/a 1.14E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552323
PNG
(CHEMBL4796898)
Show SMILES OC(=O)CCc1nc(sc1C(=O)Nc1ccc2ccccc2c1)N1CC2(COC2)C1
PDB
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n/an/a 1.17E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552291
PNG
(CHEMBL4760537)
Show SMILES OC(=O)CNc1nc(sc1C(=O)Nc1ccc2ccccc2c1)N1CCC2(C1)OCCO2
PDB
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n/an/a 1.28E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552300
PNG
(CHEMBL4765218)
Show SMILES OC(=O)CNc1nc(sc1C(=O)Nc1ccc2ccccc2c1)N1CCC2(CC1)OCCO2
PDB
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n/an/a 1.29E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552324
PNG
(CHEMBL4794469)
Show SMILES OC(=O)CNc1nc(sc1C(=O)Nc1ccc(cc1)-c1ccccc1)N1CC2(COC2)C1
PDB
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n/an/a 1.34E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552281
PNG
(CHEMBL4798629)
Show SMILES OC(=O)CNc1nc(sc1C(=O)Nc1ccc2ccccc2c1)N1CCCCCCC1
PDB
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n/an/a 1.37E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552305
PNG
(CHEMBL4763158)
Show SMILES OC(=O)CNc1nc(sc1C(=O)Nc1ccc2ccccc2c1)N1CCC(CC1)C#N
PDB
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n/an/a 1.40E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552296
PNG
(CHEMBL4753746)
Show SMILES COC1CCN(CC1)c1nc(NCC(O)=O)c(s1)C(=O)Nc1ccc2ccccc2c1
PDB
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n/an/a 1.61E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552293
PNG
(CHEMBL4782914)
Show SMILES CC1CCCN(C1)c1nc(NCC(O)=O)c(s1)C(=O)Nc1ccc2ccccc2c1
PDB
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n/an/a 1.64E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552279
PNG
(CHEMBL4761306)
Show SMILES OC(=O)CNc1nc(sc1C(=O)Nc1ccc2ccccc2c1)N1CCCC1
PDB
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n/an/a 1.66E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552326
PNG
(CHEMBL4741624)
Show SMILES CC(C)c1cccc(NC(=O)c2sc(nc2NCC(O)=O)N2CC3(COC3)C2)c1
PDB
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n/an/a 1.68E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552317
PNG
(CHEMBL4794826)
Show SMILES OC(=O)CNc1nc(sc1C(=O)Nc1ccc2ccccc2c1)N1CCOCC1
PDB
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n/an/a 1.77E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552306
PNG
(CHEMBL4776635)
Show SMILES OC(=O)CNc1nc(sc1C(=O)Nc1ccc2ccccc2c1)N1CCC(CC1)C(F)(F)F
PDB
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n/an/a 1.97E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552287
PNG
(CHEMBL4742117)
Show SMILES CCO[C@@H]1CCN(C1)c1nc(NCC(O)=O)c(s1)C(=O)Nc1ccc2ccccc2c1 |r|
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n/an/a 2.32E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552325
PNG
(CHEMBL4755778)
Show SMILES OC(=O)CNc1nc(sc1C(=O)Nc1ccc(Cl)c(Cl)c1)N1CC2(COC2)C1
PDB
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n/an/a 2.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552286
PNG
(CHEMBL4761982)
Show SMILES CO[C@H]1CCN(C1)c1nc(NCC(O)=O)c(s1)C(=O)Nc1ccc2ccccc2c1 |r|
PDB
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n/an/a 2.85E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552315
PNG
(CHEMBL4790425)
Show SMILES CC1CN(CCN1C)c1nc(NCC(O)=O)c(s1)C(=O)Nc1ccc2ccccc2c1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.71E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50552310
PNG
(CHEMBL4791740)
Show SMILES OC(=O)CNc1nc(sc1C(=O)Nc1ccc2ccccc2c1)N1CCNCC1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.69E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His tagged human Pin1 expressed in Escherichia coli BL21 (DE3) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate preincu...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115878
BindingDB Entry DOI: 10.7270/Q21J9FDM
More data for this
Ligand-Target Pair
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