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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Type-2 restriction enzyme PstI' AND taxid = 588   
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
Type-2 restriction enzyme PstI


(Providencia stuartii)
BDBM50242374
PNG
(CHEMBL505529 | topostatin)
Show SMILES CCCCCCCC(C)CC=C(C)C=CC(=O)C(C)CCC1OC(=O)[C@H](CC(OS(O)(=O)=O)C(N)=O)NC(=O)[C@@H](C)CNC(=O)C(=C)NC(=O)C1C
Show InChI InChI=1S/C36H58N4O11S/c1-8-9-10-11-12-13-22(2)14-15-23(3)16-18-29(41)24(4)17-19-30-26(6)34(44)39-27(7)35(45)38-21-25(5)33(43)40-28(36(46)50-30)20-31(32(37)42)51-52(47,48)49/h15-16,18,22,24-26,28,30-31H,7-14,17,19-21H2,1-6H3,(H2,37,42)(H,38,45)(H,39,44)(H,40,43)(H,47,48,49)/t22?,24?,25-,26?,28-,30?,31?/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of Providencia stuartii Pst 1 assessed as undigested supercoiled pBR322 DNA concentration


J Nat Prod 64: 204-7 (2001)

More data for this
Ligand-Target Pair
Type-2 restriction enzyme PstI


(Providencia stuartii)
BDBM22984
PNG
((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
Show InChI InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
UniProtKB/SwissProt

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Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of Providencia stuartii Pst 1 assessed as undigested supercoiled pBR322 DNA concentration


J Nat Prod 64: 204-7 (2001)

More data for this
Ligand-Target Pair
Type-2 restriction enzyme PstI


(Providencia stuartii)
BDBM50008923
PNG
((S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-...)
Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O
Show InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of Providencia stuartii Pst 1 assessed as undigested supercoiled pBR322 DNA concentration


J Nat Prod 64: 204-7 (2001)

More data for this
Ligand-Target Pair
Type-2 restriction enzyme PstI


(Providencia stuartii)
BDBM50164888
PNG
(6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...)
Show SMILES Oc1ccc(\C=C2\C(=O)Oc3cc(O)ccc23)cc1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-13-12-6-5-11(17)8-14(12)19-15(13)18/h1-8,16-17H/b13-7+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a>4.00E+5n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of Providencia stuartii Pst 1 assessed as undigested supercoiled pBR322 DNA concentration


J Nat Prod 64: 204-7 (2001)

More data for this
Ligand-Target Pair