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PubMed code 21545152

Compile data set for download or QSAR
Found 3 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)
BDBM50345548
PNG
(CHEMBL1784538 | [13C,15N-Y,P,V]cyclic CRYPEVEIC | ...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CSSC[C@H](NC1=O)C(O)=O)C(C)C
Show InChI InChI=1S/C47H72N12O15S2/c1-5-24(4)37-44(71)56-32(46(73)74)22-76-75-21-27(48)38(65)52-28(8-6-18-51-47(49)50)39(66)55-31(20-25-10-12-26(60)13-11-25)45(72)59-19-7-9-33(59)42(69)53-29(14-16-34(61)62)40(67)57-36(23(2)3)43(70)54-30(41(68)58-37)15-17-35(63)64/h10-13,23-24,27-33,36-37,60H,5-9,14-22,48H2,1-4H3,(H,52,65)(H,53,69)(H,54,70)(H,55,66)(H,56,71)(H,57,67)(H,58,68)(H,61,62)(H,63,64)(H,73,74)(H4,49,50,51)/t24-,27-,28-,29-,30-,31-,32-,33-,36-,37-/m0/s1
PDB
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Article
PubMed
200n/an/an/an/an/an/an/an/a



The University of Western Ontario

Curated by ChEMBL


Assay Description
Competitive inhibition of human GST-tagged-Pin1 PPIase activity using WFYpSPR-pNA as substrate by Michaelis-Menton equation


J Med Chem 54: 3854-65 (2011)


Article DOI: 10.1021/jm200156c
BindingDB Entry DOI: 10.7270/Q2DN45DV
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens)
BDBM50345548
PNG
(CHEMBL1784538 | [13C,15N-Y,P,V]cyclic CRYPEVEIC | ...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CSSC[C@H](NC1=O)C(O)=O)C(C)C
Show InChI InChI=1S/C47H72N12O15S2/c1-5-24(4)37-44(71)56-32(46(73)74)22-76-75-21-27(48)38(65)52-28(8-6-18-51-47(49)50)39(66)55-31(20-25-10-12-26(60)13-11-25)45(72)59-19-7-9-33(59)42(69)53-29(14-16-34(61)62)40(67)57-36(23(2)3)43(70)54-30(41(68)58-37)15-17-35(63)64/h10-13,23-24,27-33,36-37,60H,5-9,14-22,48H2,1-4H3,(H,52,65)(H,53,69)(H,54,70)(H,55,66)(H,56,71)(H,57,67)(H,58,68)(H,61,62)(H,63,64)(H,73,74)(H4,49,50,51)/t24-,27-,28-,29-,30-,31-,32-,33-,36-,37-/m0/s1
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Article
PubMed
520n/an/an/an/an/an/an/an/a



The University of Western Ontario

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged-Pin1 PPIase activity using Suc-AEPF-pNA as substrate by Michaelis-Menton equation


J Med Chem 54: 3854-65 (2011)


Article DOI: 10.1021/jm200156c
BindingDB Entry DOI: 10.7270/Q2DN45DV
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens)
BDBM50345549
PNG
(CHEMBL1784539 | CRYPEVEIC)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C47H74N12O15S2/c1-5-24(4)37(44(71)56-32(22-76)46(73)74)58-41(68)30(15-17-35(63)64)54-43(70)36(23(2)3)57-40(67)29(14-16-34(61)62)53-42(69)33-9-7-19-59(33)45(72)31(20-25-10-12-26(60)13-11-25)55-39(66)28(8-6-18-51-47(49)50)52-38(65)27(48)21-75/h10-13,23-24,27-33,36-37,60,75-76H,5-9,14-22,48H2,1-4H3,(H,52,65)(H,53,69)(H,54,70)(H,55,66)(H,56,71)(H,57,67)(H,58,68)(H,61,62)(H,63,64)(H,73,74)(H4,49,50,51)/t24-,27-,28-,29-,30-,31-,32-,33-,36-,37-/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.40E+4n/an/an/an/an/an/an/an/a



The University of Western Ontario

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged-Pin1 PPIase activity using Suc-AEPF-pNA as substrate by Michaelis-Menton equation


J Med Chem 54: 3854-65 (2011)


Article DOI: 10.1021/jm200156c
BindingDB Entry DOI: 10.7270/Q2DN45DV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%