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Compile Data Set for Download or QSAR

Found 5 hits of kon data for polymerid = 50000047,50000047   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydrofolate reductase


(Escherichia coli)
BDBM18050
PNG
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
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Article
PubMed
n/an/an/an/an/an/a 1.50E+5n/an/a



Pennsylvania State University

Curated by ChEMBL


Assay Description
Thermodynamic Dissociation Constant for compound-Phe31-dihydrofolate reductase (DHFR) complex at pH 9.5


J Med Chem 31: 129-37 (1988)


Article DOI: 10.1021/jm00396a019
BindingDB Entry DOI: 10.7270/Q2MP53VF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50022831
PNG
(6,7-Dimethyl-pteridine-2,4-diamine | CHEMBL29143)
Show SMILES Cc1nc2nc(N)nc(N)c2nc1C
Show InChI InChI=1S/C8H10N6/c1-3-4(2)12-7-5(11-3)6(9)13-8(10)14-7/h1-2H3,(H4,9,10,12,13,14)
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PubMed
n/an/an/an/an/an/a 6.80E+6n/an/a



Pennsylvania State University

Curated by ChEMBL


Assay Description
Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 7


J Med Chem 31: 129-37 (1988)


Article DOI: 10.1021/jm00396a019
BindingDB Entry DOI: 10.7270/Q2MP53VF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM18050
PNG
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
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PubMed
n/an/an/an/an/an/a 1.10E+7n/an/a



Pennsylvania State University

Curated by ChEMBL


Assay Description
Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 7


J Med Chem 31: 129-37 (1988)


Article DOI: 10.1021/jm00396a019
BindingDB Entry DOI: 10.7270/Q2MP53VF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50022831
PNG
(6,7-Dimethyl-pteridine-2,4-diamine | CHEMBL29143)
Show SMILES Cc1nc2nc(N)nc(N)c2nc1C
Show InChI InChI=1S/C8H10N6/c1-3-4(2)12-7-5(11-3)6(9)13-8(10)14-7/h1-2H3,(H4,9,10,12,13,14)
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PubMed
n/an/an/an/an/an/a 1.20E+7n/an/a



Pennsylvania State University

Curated by ChEMBL


Assay Description
Association constant (Kon) at Phe-31 of dihydrofolate reductase (DHFR)


J Med Chem 31: 129-37 (1988)


Article DOI: 10.1021/jm00396a019
BindingDB Entry DOI: 10.7270/Q2MP53VF
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM18050
PNG
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
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Article
PubMed
n/an/an/an/an/an/a 3.60E+7n/an/a



Pennsylvania State University

Curated by ChEMBL


Assay Description
Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 6


J Med Chem 31: 129-37 (1988)


Article DOI: 10.1021/jm00396a019
BindingDB Entry DOI: 10.7270/Q2MP53VF
More data for this
Ligand-Target Pair