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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase NIMA-interacting 2' 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 2


(Homo sapiens)
BDBM50080528
PNG
(3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)...)
Show SMILES C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC1CC(=O)NC(=O)C1
Show InChI InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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Article
PubMed
1.87E+5n/an/an/an/an/an/an/an/a



Max-Planck Research Unit

Curated by ChEMBL


Assay Description
Inhibition constant(Ki) for inhibition of PPIase activity of E. coli parvulin (Conc=4 nM) of Parvulins sfamily


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 2


(Homo sapiens)
BDBM50095936
PNG
(CHEMBL3590367)
Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2cc3cc(c2)C(=O)NC[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc4ccccc4c2)NC(=O)[C@H]2CCCCN2C1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CNC3=O)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C21H22N6O4/c1-3-23-20(30)17-15(28)16(29)21(31-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12-6-4-11(2)5-7-12/h4-7,10,15-17,21,28-29H,3H2,1-2H3,(H,23,30)(H2,22,25,26)/t15-,16+,17+,21?/m1/s1
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PubMed
n/an/a 34n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of Pin4 (unknown origin) pre-incubated for 10 mins before addition of Suc-Ala-Glu-Pro-Phe-pNA substrate in presence of alpha-chymotrypsin ...


Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 2


(Homo sapiens)
BDBM50437711
PNG
(CHEMBL2409076)
Show SMILES CCOC(=O)Cn1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(CC(=O)OCC)c3=O
Show InChI InChI=1S/C22H18N2O8/c1-3-31-15(25)9-23-19(27)11-5-7-13-18-14(8-6-12(17(11)18)20(23)28)22(30)24(21(13)29)10-16(26)32-4-2/h5-8H,3-4,9-10H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Horizon Discovery

Curated by ChEMBL


Assay Description
Inhibition of Par14 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair