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PubMed code 3351853

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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


(Mus musculus (Mouse))
BDBM50367055
PNG
(4-Aminofolic acid | 4-Aminopteroic acid | AMINOPTE...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1 |r|
Show InChI InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)/t12-/m0/s1
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MCE
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PC sid
PDB
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PubMed
n/an/a 2n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase(DHFR) isolated from L1210 murine leukemia cells


J Med Chem 31: 763-8 (1988)


BindingDB Entry DOI: 10.7270/Q24J0FPQ
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50023405
PNG
(3-(Carboxymethyl-{4-[(2,4-diamino-pteridin-6-ylmet...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N(CCC(O)=O)CC(O)=O
Show InChI InChI=1S/C20H22N8O5/c1-27(9-12-8-23-18-16(24-12)17(21)25-20(22)26-18)13-4-2-11(3-5-13)19(33)28(10-15(31)32)7-6-14(29)30/h2-5,8H,6-7,9-10H2,1H3,(H,29,30)(H,31,32)(H4,21,22,23,25,26)
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n/an/a 38n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase(DHFR)


J Med Chem 31: 763-8 (1988)


BindingDB Entry DOI: 10.7270/Q24J0FPQ
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50023404
PNG
(5-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-ami...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(C\C=C\C(O)=O)C(O)=O
Show InChI InChI=1S/C21H22N8O5/c1-29(10-12-9-24-18-16(25-12)17(22)27-21(23)28-18)13-7-5-11(6-8-13)19(32)26-14(20(33)34)3-2-4-15(30)31/h2,4-9,14H,3,10H2,1H3,(H,26,32)(H,30,31)(H,33,34)(H4,22,23,24,27,28)/b4-2+
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n/an/a 3.20E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase(DHFR)


J Med Chem 31: 763-8 (1988)


BindingDB Entry DOI: 10.7270/Q24J0FPQ
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50023406
PNG
(5-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-ben...)
Show SMILES Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(C\C=C\C(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C20H20N8O5/c21-16-15-17(28-20(22)27-16)24-9-12(25-15)8-23-11-6-4-10(5-7-11)18(31)26-13(19(32)33)2-1-3-14(29)30/h1,3-7,9,13,23H,2,8H2,(H,26,31)(H,29,30)(H,32,33)(H4,21,22,24,27,28)/b3-1+
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n/an/a 4.60E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase(DHFR)


J Med Chem 31: 763-8 (1988)


BindingDB Entry DOI: 10.7270/Q24J0FPQ
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mus musculus (Mouse))
BDBM50023408
PNG
(2-{3-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-ben...)
Show SMILES Nc1nc(N)c2nc(CNc3cccc(c3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-2-9(6-10)17(30)25-12(18(31)32)4-5-13(28)29/h1-3,6,8,12,22H,4-5,7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)
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n/an/a 2.00E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase(DHFR) isolated from L1210 murine leukemia cells


J Med Chem 31: 763-8 (1988)


BindingDB Entry DOI: 10.7270/Q24J0FPQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%