Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50008389 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50518736
(CHEMBL4526940)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)\N=C1/C=C(SCC(O)=O)C(=O)c2ccccc12 |t:16| Show InChI InChI=1S/C22H21NO5S2/c1-22(2,3)14-8-10-15(11-9-14)30(27,28)23-18-12-19(29-13-20(24)25)21(26)17-7-5-4-6-16(17)18/h4-12H,13H2,1-3H3,(H,24,25)/b23-18+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 625 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya Citi University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Pin1 (unknown origin) using Suc-AEPF-MCA as substrate preincubated followed by substrate addition and measured after 60 to ... |
Bioorg Med Chem Lett 29: 353-356 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.044
BindingDB Entry DOI: 10.7270/Q27D2ZH0 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50518734
(CHEMBL4467081)Show SMILES OC(=O)[C@H](CCC(=O)N1CCOCC1)NC(=O)\C=C\c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C22H24N2O5/c25-20(9-6-16-5-7-17-3-1-2-4-18(17)15-16)23-19(22(27)28)8-10-21(26)24-11-13-29-14-12-24/h1-7,9,15,19H,8,10-14H2,(H,23,25)(H,27,28)/b9-6+/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya Citi University
Curated by ChEMBL
| Assay Description
Irreversible inhibition of Pin1 (unknown origin) using suc-Ala-Glu-Pro-Phe-pNA as substrate preincubated for 10 mins followed by substrate addition a... |
Bioorg Med Chem Lett 29: 353-356 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.044
BindingDB Entry DOI: 10.7270/Q27D2ZH0 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50518732
(CHEMBL4473488)Show SMILES OC(=O)[C@@H](CCC(=O)N1CCOCC1)NC(=O)\C=C\c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C22H24N2O5/c25-20(9-6-16-5-7-17-3-1-2-4-18(17)15-16)23-19(22(27)28)8-10-21(26)24-11-13-29-14-12-24/h1-7,9,15,19H,8,10-14H2,(H,23,25)(H,27,28)/b9-6+/t19-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya Citi University
Curated by ChEMBL
| Assay Description
Irreversible inhibition of Pin1 (unknown origin) using suc-Ala-Glu-Pro-Phe-pNA as substrate preincubated for 10 mins followed by substrate addition a... |
Bioorg Med Chem Lett 29: 353-356 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.044
BindingDB Entry DOI: 10.7270/Q27D2ZH0 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50518734
(CHEMBL4467081)Show SMILES OC(=O)[C@H](CCC(=O)N1CCOCC1)NC(=O)\C=C\c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C22H24N2O5/c25-20(9-6-16-5-7-17-3-1-2-4-18(17)15-16)23-19(22(27)28)8-10-21(26)24-11-13-29-14-12-24/h1-7,9,15,19H,8,10-14H2,(H,23,25)(H,27,28)/b9-6+/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya Citi University
Curated by ChEMBL
| Assay Description
Inhibition of Pin1 (unknown origin) using suc-Ala-Glu-Pro-Phe-pNA as substrate preincubated for 10 mins followed by substrate addition and measured f... |
Bioorg Med Chem Lett 29: 353-356 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.044
BindingDB Entry DOI: 10.7270/Q27D2ZH0 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50518732
(CHEMBL4473488)Show SMILES OC(=O)[C@@H](CCC(=O)N1CCOCC1)NC(=O)\C=C\c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C22H24N2O5/c25-20(9-6-16-5-7-17-3-1-2-4-18(17)15-16)23-19(22(27)28)8-10-21(26)24-11-13-29-14-12-24/h1-7,9,15,19H,8,10-14H2,(H,23,25)(H,27,28)/b9-6+/t19-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya Citi University
Curated by ChEMBL
| Assay Description
Inhibition of Pin1 (unknown origin) using suc-Ala-Glu-Pro-Phe-pNA as substrate preincubated for 10 mins followed by substrate addition and measured f... |
Bioorg Med Chem Lett 29: 353-356 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.044
BindingDB Entry DOI: 10.7270/Q27D2ZH0 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50518735
(CHEMBL4584218)Show SMILES OC(=O)[C@H](CCC(=O)N1CCOCC1)NC(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C18H22N2O5/c21-16(8-6-14-4-2-1-3-5-14)19-15(18(23)24)7-9-17(22)20-10-12-25-13-11-20/h1-6,8,15H,7,9-13H2,(H,19,21)(H,23,24)/b8-6+/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya Citi University
Curated by ChEMBL
| Assay Description
Inhibition of Pin1 (unknown origin) using suc-Ala-Glu-Pro-Phe-pNA as substrate preincubated for 10 mins followed by substrate addition and measured f... |
Bioorg Med Chem Lett 29: 353-356 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.044
BindingDB Entry DOI: 10.7270/Q27D2ZH0 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50518733
(CHEMBL4448808)Show SMILES Cc1ccc(\C=C\C(=O)N[C@@H](CCC(=O)N2CCOCC2)C(O)=O)cc1 |r| Show InChI InChI=1S/C19H24N2O5/c1-14-2-4-15(5-3-14)6-8-17(22)20-16(19(24)25)7-9-18(23)21-10-12-26-13-11-21/h2-6,8,16H,7,9-13H2,1H3,(H,20,22)(H,24,25)/b8-6+/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya Citi University
Curated by ChEMBL
| Assay Description
Inhibition of Pin1 (unknown origin) using suc-Ala-Glu-Pro-Phe-pNA as substrate preincubated for 10 mins followed by substrate addition and measured f... |
Bioorg Med Chem Lett 29: 353-356 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.044
BindingDB Entry DOI: 10.7270/Q27D2ZH0 |
More data for this
Ligand-Target Pair | |
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