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Patent code US10870625

Compile Data Set for Download or QSAR
Found 10 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50536185
PNG
(CHEMBL4588910 | US10870625, Compound 57)
Show SMILES CCc1nc(N)nc(N)c1C#C[C@@H](C)c1cc(ccc1OC)-c1ccncc1
Show InChI InChI=1S/C22H23N5O/c1-4-19-17(21(23)27-22(24)26-19)7-5-14(2)18-13-16(6-8-20(18)28-3)15-9-11-25-12-10-15/h6,8-14H,4H2,1-3H3,(H4,23,24,26,27)/t14-/m1/s1
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US Patent
n/an/a 144n/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Enzyme activity and inhibition assays were performed by monitoring the NADPH-dependent reduction of dihydrofolate catalyzed by the DHFR enzyme. The r...


US Patent US10870625 (2020)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM476664
PNG
(US10870625, Compound 54)
Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc2OCOc2c(c1)-c1cncn1C
Show InChI InChI=1S/C21H22N6O2/c1-4-16-14(20(22)26-21(23)25-16)6-5-12(2)13-7-15(17-9-24-10-27(17)3)19-18(8-13)28-11-29-19/h7-10,12H,4,11H2,1-3H3,(H4,22,23,25,26)
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n/an/a 323n/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Enzyme activity and inhibition assays were performed by monitoring the NADPH-dependent reduction of dihydrofolate catalyzed by the DHFR enzyme. The r...


US Patent US10870625 (2020)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM476672
PNG
(US10870625, Compound 59)
Show SMILES CCc1nc(N)nc(N)c1C#CCc1ccc(OC)c(c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H22N4O3/c1-3-19-17(21(24)27-23(25)26-19)6-4-5-14-7-12-20(30-2)18(13-14)15-8-10-16(11-9-15)22(28)29/h7-13H,3,5H2,1-2H3,(H,28,29)(H4,24,25,26,27)
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n/an/a 688n/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Enzyme activity and inhibition assays were performed by monitoring the NADPH-dependent reduction of dihydrofolate catalyzed by the DHFR enzyme. The r...


US Patent US10870625 (2020)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50190621
PNG
(CHEMBL3827532 | US10870625, Compound 15)
Show SMILES CCc1nc(N)nc(N)c1C#CCc1cc(ccc1OC)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H22N4O3/c1-3-19-18(21(24)27-23(25)26-19)6-4-5-17-13-16(11-12-20(17)30-2)14-7-9-15(10-8-14)22(28)29/h7-13H,3,5H2,1-2H3,(H,28,29)(H4,24,25,26,27)
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n/an/a 870n/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Enzyme activity and inhibition assays were performed by monitoring the NADPH-dependent reduction of dihydrofolate catalyzed by the DHFR enzyme. The r...


US Patent US10870625 (2020)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM476671
PNG
(US10870625, Compound 58)
Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc(OC)cc(c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H24N4O3/c1-4-21-20(22(25)28-24(26)27-21)10-5-14(2)17-11-18(13-19(12-17)31-3)15-6-8-16(9-7-15)23(29)30/h6-9,11-14H,4H2,1-3H3,(H,29,30)(H4,25,26,27,28)
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n/an/a 1.02E+3n/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Enzyme activity and inhibition assays were performed by monitoring the NADPH-dependent reduction of dihydrofolate catalyzed by the DHFR enzyme. The r...


US Patent US10870625 (2020)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM476668
PNG
(US10870625, Compound 56)
Show SMILES CCc1nc(N)nc(N)c1C#CCc1cc(ccc1OC)-c1cncn1C
Show InChI InChI=1S/C20H22N6O/c1-4-16-15(19(21)25-20(22)24-16)7-5-6-14-10-13(8-9-18(14)27-3)17-11-23-12-26(17)2/h8-12H,4,6H2,1-3H3,(H4,21,22,24,25)
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n/an/a 1.45E+3n/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Enzyme activity and inhibition assays were performed by monitoring the NADPH-dependent reduction of dihydrofolate catalyzed by the DHFR enzyme. The r...


US Patent US10870625 (2020)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50190619
PNG
(CHEMBL3827086 | US10870625, Compound 14)
Show SMILES CCc1nc(N)nc(N)c1C#CCc1cc(ccc1OC)-c1ccccc1C(O)=O
Show InChI InChI=1S/C23H22N4O3/c1-3-19-18(21(24)27-23(25)26-19)10-6-7-15-13-14(11-12-20(15)30-2)16-8-4-5-9-17(16)22(28)29/h4-5,8-9,11-13H,3,7H2,1-2H3,(H,28,29)(H4,24,25,26,27)
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n/an/a 1.58E+3n/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Enzyme activity and inhibition assays were performed by monitoring the NADPH-dependent reduction of dihydrofolate catalyzed by the DHFR enzyme. The r...


US Patent US10870625 (2020)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM476663
PNG
(US10870625, Compound 29)
Show SMILES CCc1nc(N)nc(N)c1C#CC(SC)c1cc(ccc1OC)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H24N4O3S/c1-4-19-17(22(25)28-24(26)27-19)10-12-21(32-3)18-13-16(9-11-20(18)31-2)14-5-7-15(8-6-14)23(29)30/h5-9,11,13,21H,4H2,1-3H3,(H,29,30)(H4,25,26,27,28)
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n/an/a 1.96E+3n/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Enzyme activity and inhibition assays were performed by monitoring the NADPH-dependent reduction of dihydrofolate catalyzed by the DHFR enzyme. The r...


US Patent US10870625 (2020)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50536190
PNG
(CHEMBL4483336 | US10870625, Compound 55)
Show SMILES CCc1nc(N)nc(N)c1C#C[C@H](C)c1cc2OCOc2c(c1)-c1ccncc1
Show InChI InChI=1S/C22H21N5O2/c1-3-18-16(21(23)27-22(24)26-18)5-4-13(2)15-10-17(14-6-8-25-9-7-14)20-19(11-15)28-12-29-20/h6-11,13H,3,12H2,1-2H3,(H4,23,24,26,27)/t13-/m0/s1
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n/an/a 2.91E+3n/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Enzyme activity and inhibition assays were performed by monitoring the NADPH-dependent reduction of dihydrofolate catalyzed by the DHFR enzyme. The r...


US Patent US10870625 (2020)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM18069
PNG
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
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n/an/a 9.72E+4n/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Enzyme activity and inhibition assays were performed by monitoring the NADPH-dependent reduction of dihydrofolate catalyzed by the DHFR enzyme. The r...


US Patent US10870625 (2020)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%