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Compile Data Set for Download or QSAR

Found 4 hits of non-affinity data for polymerid = 2815   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ATP phosphoribosyltransferase


(Mycobacterium tuberculosis)
BDBM25319
PNG
(4,6-bis(benzylsulfanyl)pyrimidine-2,5-diamine | Ch...)
Show SMILES Nc1nc(SCc2ccccc2)c(N)c(SCc2ccccc2)n1
Show InChI InChI=1S/C18H18N4S2/c19-15-16(23-11-13-7-3-1-4-8-13)21-18(20)22-17(15)24-12-14-9-5-2-6-10-14/h1-10H,11-12,19H2,(H2,20,21,22)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/an/an/an/a8.522



Yale University



Assay Description
Inhibition activity was determined using an assay that followed the production of PR-ATP spectrophotometrically. Enzymatic reaction was initiated by ...


J Med Chem 51: 5984-92 (2008)


Article DOI: 10.1021/jm800328v
BindingDB Entry DOI: 10.7270/Q2V986CX
More data for this
Ligand-Target Pair
ATP phosphoribosyltransferase


(Mycobacterium tuberculosis)
BDBM25325
PNG
(2-[methyl(6-nitro-1,3-benzothiazol-2-yl)amino]acet...)
Show SMILES CN(CC(O)=O)c1nc2ccc(cc2s1)[N+]([O-])=O
Show InChI InChI=1S/C10H9N3O4S/c1-12(5-9(14)15)10-11-7-3-2-6(13(16)17)4-8(7)18-10/h2-4H,5H2,1H3,(H,14,15)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/an/an/an/a8.522



Yale University



Assay Description
Inhibition activity was determined using an assay that followed the production of PR-ATP spectrophotometrically. Enzymatic reaction was initiated by ...


J Med Chem 51: 5984-92 (2008)


Article DOI: 10.1021/jm800328v
BindingDB Entry DOI: 10.7270/Q2V986CX
More data for this
Ligand-Target Pair
ATP phosphoribosyltransferase


(Mycobacterium tuberculosis)
BDBM25321
PNG
((4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(p...)
Show SMILES COc1cc(cc(OC)c1OC)C1C(C(=O)c2ccc(Cl)cc2)C(=O)C(=O)N1Cc1cccnc1
Show InChI InChI=1S/C26H23ClN2O6/c1-33-19-11-17(12-20(34-2)25(19)35-3)22-21(23(30)16-6-8-18(27)9-7-16)24(31)26(32)29(22)14-15-5-4-10-28-13-15/h4-13,21-22H,14H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/an/an/an/a8.522



Yale University



Assay Description
Inhibition activity was determined using an assay that followed the production of PR-ATP spectrophotometrically. Enzymatic reaction was initiated by ...


J Med Chem 51: 5984-92 (2008)


Article DOI: 10.1021/jm800328v
BindingDB Entry DOI: 10.7270/Q2V986CX
More data for this
Ligand-Target Pair
ATP phosphoribosyltransferase


(Mycobacterium tuberculosis)
BDBM25320
PNG
(4-[(E)-2-{2,6-diamino-3-methyl-5-[(E)-2-(4-sulfoph...)
Show SMILES Cc1cc(\N=N\c2ccc(cc2)S(O)(=O)=O)c(N)c(\N=N\c2ccc(cc2)S(O)(=O)=O)c1N
Show InChI InChI=1S/C19H18N6O6S2/c1-11-10-16(24-22-12-2-6-14(7-3-12)32(26,27)28)18(21)19(17(11)20)25-23-13-4-8-15(9-5-13)33(29,30)31/h2-10H,20-21H2,1H3,(H,26,27,28)(H,29,30,31)/b24-22+,25-23+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/an/an/an/a8.522



Yale University



Assay Description
Inhibition activity was determined using an assay that followed the production of PR-ATP spectrophotometrically. Enzymatic reaction was initiated by ...


J Med Chem 51: 5984-92 (2008)


Article DOI: 10.1021/jm800328v
BindingDB Entry DOI: 10.7270/Q2V986CX
More data for this
Ligand-Target Pair