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Found 10 hits Enz. Inhib. hit(s) with Target = 'NADP-dependent malic enzyme' 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
NADP-dependent malic enzyme


(Homo sapiens)
BDBM50177180
PNG
(3-(4-(4-hydroxyphenyl)piperazin-1-yl)-1-phenylpyrr...)
Show SMILES Oc1cc(N2CCN(CC2)c2ccc(O)cc2)c(O)n1-c1ccccc1
Show InChI InChI=1S/C20H21N3O3/c24-17-8-6-15(7-9-17)21-10-12-22(13-11-21)18-14-19(25)23(20(18)26)16-4-2-1-3-5-16/h1-9,14,24-26H,10-13H2
PDB
MMDB

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n/an/a 150n/an/an/an/an/an/a



Cytrx Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic malic enzyme


Citation and Details
More data for this
Ligand-Target Pair
NADP-dependent malic enzyme


(Homo sapiens)
BDBM50177175
PNG
(1-benzyl-3-(4-(4-hydroxyphenyl)piperazin-1-yl)-1-p...)
Show SMILES Oc1ccc(cc1)N1CCN(CC1)C1CC(=O)N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C21H23N3O3/c25-18-8-6-17(7-9-18)22-10-12-23(13-11-22)19-14-20(26)24(21(19)27)15-16-4-2-1-3-5-16/h1-9,19,25H,10-15H2
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n/an/a 450n/an/an/an/an/an/a



Cytrx Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic malic enzyme


Citation and Details
More data for this
Ligand-Target Pair
NADP-dependent malic enzyme


(Homo sapiens)
BDBM50177184
PNG
(1-(3-chloro-4-methylphenyl)3-(4-(4-hydroxyphenyl)p...)
Show SMILES Cc1ccc(cc1Cl)-n1c(O)cc(N2CCN(CC2)c2ccc(O)cc2)c1O
Show InChI InChI=1S/C21H22ClN3O3/c1-14-2-3-16(12-18(14)22)25-20(27)13-19(21(25)28)24-10-8-23(9-11-24)15-4-6-17(26)7-5-15/h2-7,12-13,26-28H,8-11H2,1H3
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n/an/a 560n/an/an/an/an/an/a



Cytrx Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic malic enzyme


Citation and Details
More data for this
Ligand-Target Pair
NADP-dependent malic enzyme


(Homo sapiens)
BDBM50177177
PNG
(1-phenyl-3-(4-(3-(trifluoromethyl)phenyl)piperazin...)
Show SMILES Oc1cc(N2CCN(CC2)c2cccc(c2)C(F)(F)F)c(O)n1-c1ccccc1
Show InChI InChI=1S/C21H20F3N3O2/c22-21(23,24)15-5-4-8-17(13-15)25-9-11-26(12-10-25)18-14-19(28)27(20(18)29)16-6-2-1-3-7-16/h1-8,13-14,28-29H,9-12H2
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n/an/a 3.15E+3n/an/an/an/an/an/a



Cytrx Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic malic enzyme


Citation and Details
More data for this
Ligand-Target Pair
NADP-dependent malic enzyme


(Homo sapiens)
BDBM50177178
PNG
(1-benzyl-3-(4-(3-hydroxyphenyl)piperazin-1-yl)pyrr...)
Show SMILES Oc1cccc(c1)N1CCN(CC1)C1CC(=O)N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C21H23N3O3/c25-18-8-4-7-17(13-18)22-9-11-23(12-10-22)19-14-20(26)24(21(19)27)15-16-5-2-1-3-6-16/h1-8,13,19,25H,9-12,14-15H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



Cytrx Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic malic enzyme


Citation and Details
More data for this
Ligand-Target Pair
NADP-dependent malic enzyme


(Homo sapiens)
BDBM50177179
PNG
(3-(4-(4-fluorophenyl)piperazin-1-yl)-1-phenylpyrro...)
Show SMILES Oc1cc(N2CCN(CC2)c2ccc(F)cc2)c(O)n1-c1ccccc1
Show InChI InChI=1S/C20H20FN3O2/c21-15-6-8-16(9-7-15)22-10-12-23(13-11-22)18-14-19(25)24(20(18)26)17-4-2-1-3-5-17/h1-9,14,25-26H,10-13H2
PDB
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n/an/a 1.00E+4n/an/an/an/an/an/a



Cytrx Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic malic enzyme


Citation and Details
More data for this
Ligand-Target Pair
NADP-dependent malic enzyme


(Homo sapiens)
BDBM50177181
PNG
(3-(4-(4-methoxyphenyl)piperazin-1-yl)-1-phenylpyrr...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)c1cc(O)n(c1O)-c1ccccc1
Show InChI InChI=1S/C21H23N3O3/c1-27-18-9-7-16(8-10-18)22-11-13-23(14-12-22)19-15-20(25)24(21(19)26)17-5-3-2-4-6-17/h2-10,15,25-26H,11-14H2,1H3
PDB
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n/an/a>2.00E+4n/an/an/an/an/an/a



Cytrx Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic malic enzyme


Citation and Details
More data for this
Ligand-Target Pair
NADP-dependent malic enzyme


(Homo sapiens)
BDBM50177182
PNG
(1-benzyl-3-(4-(4-methoxyphenyl)piperazin-1-yl)pyrr...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C1CC(=O)N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C22H25N3O3/c1-28-19-9-7-18(8-10-19)23-11-13-24(14-12-23)20-15-21(26)25(22(20)27)16-17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3
PDB
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n/an/a>2.00E+4n/an/an/an/an/an/a



Cytrx Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic malic enzyme


Citation and Details
More data for this
Ligand-Target Pair
NADP-dependent malic enzyme


(Homo sapiens)
BDBM50177176
PNG
(1-benzyl-3-(4-(2-hydroxyphenyl)piperazin-1-yl)pyrr...)
Show SMILES Oc1ccccc1N1CCN(CC1)C1CC(=O)N(Cc2ccccc2)C1=O
Show InChI InChI=1S/C21H23N3O3/c25-19-9-5-4-8-17(19)22-10-12-23(13-11-22)18-14-20(26)24(21(18)27)15-16-6-2-1-3-7-16/h1-9,18,25H,10-15H2
PDB
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n/an/a>2.00E+4n/an/an/an/an/an/a



Cytrx Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic malic enzyme


Citation and Details
More data for this
Ligand-Target Pair
NADP-dependent malic enzyme


(Homo sapiens)
BDBM50177183
PNG
(1-(2,3-dichlorophenyl)-3-(4-(4-methoxyphenyl)piper...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)c1cc(O)n(c1O)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C21H21Cl2N3O3/c1-29-15-7-5-14(6-8-15)24-9-11-25(12-10-24)18-13-19(27)26(21(18)28)17-4-2-3-16(22)20(17)23/h2-8,13,27-28H,9-12H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



Cytrx Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic malic enzyme


Citation and Details
More data for this
Ligand-Target Pair