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Compile Data Set for Download or QSAR

Found 6 hits of kd data for polymerid = 1940,4730,50000649,9977   
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
Bifunctional dihydrofolate reductase-thymidylate synthase


(Leishmania major)
BDBM50071576
PNG
(CHEMBL3410463)
Show SMILES Nc1nc(N)c2cc(NCc3ccc(cc3)[N+]([O-])=O)ccc2n1
Show InChI InChI=1S/C15H14N6O2/c16-14-12-7-10(3-6-13(12)19-15(17)20-14)18-8-9-1-4-11(5-2-9)21(22)23/h1-7,18H,8H2,(H4,16,17,19,20)
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Article
PubMed
n/an/an/a 241n/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Binding affinity to Leishmania major DHFR


Eur J Med Chem 92: 314-31 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.051
BindingDB Entry DOI: 10.7270/Q2542Q91
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Leishmania major)
BDBM50071579
PNG
(CHEMBL3410464)
Show SMILES Nc1nc(N)c2cc(NCCn3c(nc4cc(Cl)c(Cl)cc34)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C18H14Cl2F3N7/c19-10-6-13-14(7-11(10)20)30(16(27-13)18(21,22)23)4-3-26-8-1-2-12-9(5-8)15(24)29-17(25)28-12/h1-2,5-7,26H,3-4H2,(H4,24,25,28,29)
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Article
PubMed
n/an/an/a 752n/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Binding affinity to Leishmania major DHFR


Eur J Med Chem 92: 314-31 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.051
BindingDB Entry DOI: 10.7270/Q2542Q91
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Leishmania major)
BDBM50071577
PNG
(CHEMBL174153)
Show SMILES Nc1nc(N)c2cc(NCc3ccc(O)cc3)ccc2n1
Show InChI InChI=1S/C15H15N5O/c16-14-12-7-10(3-6-13(12)19-15(17)20-14)18-8-9-1-4-11(21)5-2-9/h1-7,18,21H,8H2,(H4,16,17,19,20)
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Article
PubMed
n/an/an/a 1.02E+3n/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Binding affinity to Leishmania major DHFR


Eur J Med Chem 92: 314-31 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.051
BindingDB Entry DOI: 10.7270/Q2542Q91
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Leishmania major)
BDBM50071578
PNG
(CHEMBL546890)
Show SMILES COc1ccc(CNc2ccc3nc(N)nc(N)c3c2)cc1
Show InChI InChI=1S/C16H17N5O/c1-22-12-5-2-10(3-6-12)9-19-11-4-7-14-13(8-11)15(17)21-16(18)20-14/h2-8,19H,9H2,1H3,(H4,17,18,20,21)
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Article
PubMed
n/an/an/a 1.58E+3n/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Binding affinity to Leishmania major DHFR


Eur J Med Chem 92: 314-31 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.051
BindingDB Entry DOI: 10.7270/Q2542Q91
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Leishmania major)
BDBM84608
PNG
(2,4-diamino-6-nitro-quinazoline, 1a)
Show SMILES Nc1nc(N)c2cc(ccc2n1)[N+]([O-])=O
Show InChI InChI=1S/C8H7N5O2/c9-7-5-3-4(13(14)15)1-2-6(5)11-8(10)12-7/h1-3H,(H4,9,10,11,12)
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PC cid
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Article
PubMed
n/an/an/a 1.58E+4n/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Binding affinity to Leishmania major DHFR


Eur J Med Chem 92: 314-31 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.051
BindingDB Entry DOI: 10.7270/Q2542Q91
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Leishmania major)
BDBM50404663
PNG
(CHEMBL6885 | QUINAZOLINE-2,4,6-TRIAMINE)
Show SMILES Nc1ccc2nc(N)nc(N)c2c1
Show InChI InChI=1S/C8H9N5/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H,9H2,(H4,10,11,12,13)
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CHEMBL
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MMDB
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PC sid
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UniChem

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Article
PubMed
n/an/an/a 8.40E+4n/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Binding affinity to Leishmania major DHFR


Eur J Med Chem 92: 314-31 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.051
BindingDB Entry DOI: 10.7270/Q2542Q91
More data for this
Ligand-Target Pair