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Found 7 hits Enz. Inhib. hit(s) with Target = 'Methylated AKR1B10 K125R/V301L (AKME2MU)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Methylated AKR1B10 K125R/V301L (AKME2MU)


(Homo sapiens (Human))
BDBM200221
PNG
(2-(5-chloro-2-(((perbromophenyl)methyl)carbamoyl)p...)
Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(Br)c(Br)c(Br)c(Br)c1Br
Show InChI InChI=1S/C16H9Br5ClNO4/c17-11-8(12(18)14(20)15(21)13(11)19)4-23-16(26)7-2-1-6(22)3-9(7)27-5-10(24)25/h1-3H,4-5H2,(H,23,26)(H,24,25)
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n/an/a 80n/an/an/an/an/an/a



Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire



Assay Description
The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methylated AKR1B10 K125R/V301L (AKME2MU)


(Homo sapiens (Human))
BDBM200222
PNG
(2-(2,4-dioxo-3-(2,3,4,5-tetrabromo-6-methoxybenzyl...)
Show SMILES COc1c(Br)c(Br)c(Br)c(Br)c1Cn1c(=O)ccn(CC(O)=O)c1=O
Show InChI InChI=1S/C14H10Br4N2O5/c1-25-13-6(9(15)10(16)11(17)12(13)18)4-20-7(21)2-3-19(14(20)24)5-8(22)23/h2-3H,4-5H2,1H3,(H,22,23)
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n/an/a 450n/an/an/an/an/an/a



Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire



Assay Description
The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methylated AKR1B10 K125R/V301L (AKME2MU)


(Homo sapiens (Human))
BDBM200220
PNG
(2-(5-chloro-2-((2,4,6-tribromobenzyl)carbamoyl)phe...)
Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(Br)cc(Br)cc1Br
Show InChI InChI=1S/C16H11Br3ClNO4/c17-8-3-12(18)11(13(19)4-8)6-21-16(24)10-2-1-9(20)5-14(10)25-7-15(22)23/h1-5H,6-7H2,(H,21,24)(H,22,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire



Assay Description
The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methylated AKR1B10 K125R/V301L (AKME2MU)


(Homo sapiens (Human))
BDBM50012899
PNG
((Z)-5-Fluoro-2-methyl-1-((p-(methylsulfinyl)phenyl...)
Show SMILES CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c1ccc(cc1)S(C)=O
Show InChI InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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n/an/a 2.69E+3n/an/an/an/an/an/a



Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire



Assay Description
The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methylated AKR1B10 K125R/V301L (AKME2MU)


(Homo sapiens (Human))
BDBM16238
PNG
(2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamoyl}-5...)
Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1F
Show InChI InChI=1S/C16H12BrClFNO4/c17-10-2-1-9(13(19)5-10)7-20-16(23)12-4-3-11(18)6-14(12)24-8-15(21)22/h1-6H,7-8H2,(H,20,23)(H,21,22)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire



Assay Description
The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methylated AKR1B10 K125R/V301L (AKME2MU)


(Homo sapiens (Human))
BDBM104022
PNG
(MK319)
Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(F)c(F)c(Br)c(F)c1F
Show InChI InChI=1S/C16H9BrClF4NO4/c17-11-14(21)12(19)8(13(20)15(11)22)4-23-16(26)7-2-1-6(18)3-9(7)27-5-10(24)25/h1-3H,4-5H2,(H,23,26)(H,24,25)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire



Assay Description
The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methylated AKR1B10 K125R/V301L (AKME2MU)


(Homo sapiens (Human))
BDBM104020
PNG
(MK181)
Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1
Show InChI InChI=1S/C16H13BrClNO4/c17-11-3-1-10(2-4-11)8-19-16(22)13-6-5-12(18)7-14(13)23-9-15(20)21/h1-7H,8-9H2,(H,19,22)(H,20,21)
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n/an/a 1.02E+4n/an/an/an/an/an/a



Institut de Ge´ne´tique et de Biologie Mole´culaire et Cellulaire



Assay Description
The IC50-activity assays were carried out on the basis of the quantification of the NADPH consumption that takes place when the enzyme catalyzes the ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)