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Compile Data Set for Download or QSAR

Found 5 hits with Last Name = 'ohlsson' and Initial = 's'   
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


(Homo sapiens (Human))
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 |r|
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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n/an/a 2n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability to inhibit recombinant human dihydrofolate reductase.


J Med Chem 43: 3852-61 (2000)


BindingDB Entry DOI: 10.7270/Q2N87BGB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50092657
PNG
(2-[4-(2,4-Diamino-quinazolin-6-ylmethoxycarbonyl)-...)
Show SMILES Nc1nc(N)c2cc(COC(=O)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)ccc2n1
Show InChI InChI=1S/C22H21N5O7/c23-18-14-9-11(1-6-15(14)26-22(24)27-18)10-34-21(33)13-4-2-12(3-5-13)19(30)25-16(20(31)32)7-8-17(28)29/h1-6,9,16H,7-8,10H2,(H,25,30)(H,28,29)(H,31,32)(H4,23,24,26,27)/t16-/m0/s1
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n/an/a 19.3n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability to inhibit recombinant rat liver dihydrofolate reductase.


J Med Chem 43: 3852-61 (2000)


BindingDB Entry DOI: 10.7270/Q2N87BGB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50092656
PNG
(2-[4-(2,4-Diamino-pteridin-6-ylmethoxycarbonyl)-be...)
Show SMILES Nc1nc(N)c2nc(COC(=O)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C20H19N7O7/c21-15-14-16(27-20(22)26-15)23-7-11(24-14)8-34-19(33)10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,7,12H,5-6,8H2,(H,25,30)(H,28,29)(H,31,32)(H4,21,22,23,26,27)/t12-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability to inhibit recombinant rat liver dihydrofolate reductase.


J Med Chem 43: 3852-61 (2000)


BindingDB Entry DOI: 10.7270/Q2N87BGB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50092657
PNG
(2-[4-(2,4-Diamino-quinazolin-6-ylmethoxycarbonyl)-...)
Show SMILES Nc1nc(N)c2cc(COC(=O)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)ccc2n1
Show InChI InChI=1S/C22H21N5O7/c23-18-14-9-11(1-6-15(14)26-22(24)27-18)10-34-21(33)13-4-2-12(3-5-13)19(30)25-16(20(31)32)7-8-17(28)29/h1-6,9,16H,7-8,10H2,(H,25,30)(H,28,29)(H,31,32)(H4,23,24,26,27)/t16-/m0/s1
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n/an/a 125n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability to inhibit recombinant human dihydrofolate reductase.


J Med Chem 43: 3852-61 (2000)


BindingDB Entry DOI: 10.7270/Q2N87BGB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50092656
PNG
(2-[4-(2,4-Diamino-pteridin-6-ylmethoxycarbonyl)-be...)
Show SMILES Nc1nc(N)c2nc(COC(=O)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C20H19N7O7/c21-15-14-16(27-20(22)26-15)23-7-11(24-14)8-34-19(33)10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,7,12H,5-6,8H2,(H,25,30)(H,28,29)(H,31,32)(H4,21,22,23,26,27)/t12-/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability to inhibit recombinant human dihydrofolate reductase.


J Med Chem 43: 3852-61 (2000)


BindingDB Entry DOI: 10.7270/Q2N87BGB
More data for this
Ligand-Target Pair