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Compile Data Set for Download or QSAR

Found 6 hits of kd data for polymerid = 50000102   
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
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50038261
PNG
(2-Amino-5-methyl-8-propyl-2,8-dihydro-3H-pyrido[2,...)
Show SMILES CCCN1C=CC(C)=C2C(=O)NC(N)N=C12
Show InChI InChI=1S/C11H16N4O/c1-3-5-15-6-4-7(2)8-9(15)13-11(12)14-10(8)16/h4,6,11H,3,5,12H2,1-2H3,(H,14,16)
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Article
PubMed
n/an/an/a 0.5n/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Tested for the apparent dissociation constant for binding of compound to ternary NADPH complex with chicken dihydrofolate reductase using equation 4


J Med Chem 37: 4211-21 (1995)


Article DOI: 10.1021/jm00050a017
BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50038261
PNG
(2-Amino-5-methyl-8-propyl-2,8-dihydro-3H-pyrido[2,...)
Show SMILES CCCN1C=CC(C)=C2C(=O)NC(N)N=C12
Show InChI InChI=1S/C11H16N4O/c1-3-5-15-6-4-7(2)8-9(15)13-11(12)14-10(8)16/h4,6,11H,3,5,12H2,1-2H3,(H,14,16)
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PubMed
n/an/an/a 0.600n/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Tested for the apparent dissociation constant for binding of compound to binary NADPH complex with chicken dihydrofolate reductase using equation 4


J Med Chem 37: 4211-21 (1995)


Article DOI: 10.1021/jm00050a017
BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50038261
PNG
(2-Amino-5-methyl-8-propyl-2,8-dihydro-3H-pyrido[2,...)
Show SMILES CCCN1C=CC(C)=C2C(=O)NC(N)N=C12
Show InChI InChI=1S/C11H16N4O/c1-3-5-15-6-4-7(2)8-9(15)13-11(12)14-10(8)16/h4,6,11H,3,5,12H2,1-2H3,(H,14,16)
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PubMed
n/an/an/a 2.40E+3n/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Tested for the apparent dissociation constant for binding of compound to ternary NADPH complex with chicken dihydrofolate reductaseusing equations 15...


J Med Chem 37: 4211-21 (1995)


Article DOI: 10.1021/jm00050a017
BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50038261
PNG
(2-Amino-5-methyl-8-propyl-2,8-dihydro-3H-pyrido[2,...)
Show SMILES CCCN1C=CC(C)=C2C(=O)NC(N)N=C12
Show InChI InChI=1S/C11H16N4O/c1-3-5-15-6-4-7(2)8-9(15)13-11(12)14-10(8)16/h4,6,11H,3,5,12H2,1-2H3,(H,14,16)
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PubMed
n/an/an/a 5.10E+3n/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Tested for the apparent dissociation constant for binding of compound to binary NADPH complex with chicken dihydrofolate reductase using equations 11...


J Med Chem 37: 4211-21 (1995)


Article DOI: 10.1021/jm00050a017
BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50038261
PNG
(2-Amino-5-methyl-8-propyl-2,8-dihydro-3H-pyrido[2,...)
Show SMILES CCCN1C=CC(C)=C2C(=O)NC(N)N=C12
Show InChI InChI=1S/C11H16N4O/c1-3-5-15-6-4-7(2)8-9(15)13-11(12)14-10(8)16/h4,6,11H,3,5,12H2,1-2H3,(H,14,16)
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Article
PubMed
n/an/an/a 5.30E+3n/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Tested for the apparent dissociation constant for binding of compound to binary NADPH complex with chicken dihydrofolate reductase using equation 16


J Med Chem 37: 4211-21 (1995)


Article DOI: 10.1021/jm00050a017
BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50038261
PNG
(2-Amino-5-methyl-8-propyl-2,8-dihydro-3H-pyrido[2,...)
Show SMILES CCCN1C=CC(C)=C2C(=O)NC(N)N=C12
Show InChI InChI=1S/C11H16N4O/c1-3-5-15-6-4-7(2)8-9(15)13-11(12)14-10(8)16/h4,6,11H,3,5,12H2,1-2H3,(H,14,16)
PDB

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PC sid
UniChem

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Article
PubMed
n/an/an/a 6.90E+3n/an/an/an/an/a



University of Sydney

Curated by ChEMBL


Assay Description
Tested for the apparent dissociation constant for binding of compound to binary NADPH complex with chicken dihydrofolate reductase using equation 11


J Med Chem 37: 4211-21 (1995)


Article DOI: 10.1021/jm00050a017
BindingDB Entry DOI: 10.7270/Q2WW7GQH
More data for this
Ligand-Target Pair