Found 39 hits of ic50 for UniProtKB: P48163 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50405808
(CHEMBL5279096)Show SMILES CCc1nc(N)nc(N)c1-c1ccc(NC2CCCCC2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C18H24N6O2/c1-2-13-16(17(19)23-18(20)22-13)11-8-9-14(15(10-11)24(25)26)21-12-6-4-3-5-7-12/h8-10,12,21H,2-7H2,1H3,(H4,19,20,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
50% inhibition of human carbonic anhydrase II assayed by CO2 hydration catalyzed by human erythrocytes |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50177180
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytrx Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against cytosolic malic enzyme |
Bioorg Med Chem Lett 16: 525-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.065
BindingDB Entry DOI: 10.7270/Q2VH5NF4 |
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50405811
(CHEMBL5277536)Show InChI InChI=1S/C20H24N6/c1-2-16-18(19(22)26-20(23)25-16)14-8-9-17(15(21)12-14)24-11-10-13-6-4-3-5-7-13/h3-9,12,24H,2,10-11,21H2,1H3,(H4,22,23,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
50% inhibition of human carbonic anhydrase II assayed by CO2 hydration catalyzed by human erythrocytes |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50405806
(CHEMBL5275653)Show InChI InChI=1S/C19H28N6/c1-3-15-17(18(21)24-19(22)23-15)12-9-10-16(14(20)11-12)25(2)13-7-5-4-6-8-13/h9-11,13H,3-8,20H2,1-2H3,(H4,21,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
50% inhibition of human carbonic anhydrase II assayed by CO2 hydration catalyzed by human erythrocytes |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50405803
(CHEMBL5284469)Show SMILES CCN(Cc1ccccc1)c1ccc(cc1[N+]([O-])=O)-c1c(N)nc(N)nc1CC Show InChI InChI=1S/C21H24N6O2/c1-3-16-19(20(22)25-21(23)24-16)15-10-11-17(18(12-15)27(28)29)26(4-2)13-14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3,(H4,22,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
50% inhibition of human carbonic anhydrase II assayed by CO2 hydration catalyzed by human erythrocytes |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50405807
(CHEMBL5287773)Show InChI InChI=1S/C16H23N7/c1-2-12-14(15(18)22-16(19)21-12)10-3-4-13(11(17)9-10)23-7-5-20-6-8-23/h3-4,9,20H,2,5-8,17H2,1H3,(H4,18,19,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
50% inhibition of human carbonic anhydrase II assayed by CO2 hydration catalyzed by human erythrocytes |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50405802
(CHEMBL5278951)Show InChI InChI=1S/C16H22N6O/c1-2-12-14(15(18)21-16(19)20-12)10-3-4-13(11(17)9-10)22-5-7-23-8-6-22/h3-4,9H,2,5-8,17H2,1H3,(H4,18,19,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
50% inhibition of human carbonic anhydrase II assayed by CO2 hydration catalyzed by human erythrocytes |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50405809
(CHEMBL5283020)Show SMILES CCc1nc(N)nc(N)c1-c1ccc(NC)c(c1)[N+]([O-])=O Show InChI InChI=1S/C13H16N6O2/c1-3-8-11(12(14)18-13(15)17-8)7-4-5-9(16-2)10(6-7)19(20)21/h4-6,16H,3H2,1-2H3,(H4,14,15,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
50% inhibition of human carbonic anhydrase II assayed by CO2 hydration catalyzed by human erythrocytes |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50405800
(CHEMBL5267207)Show SMILES CCc1nc(N)nc(N)c1-c1ccc(N2CCNCC2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C16H21N7O2/c1-2-11-14(15(17)21-16(18)20-11)10-3-4-12(13(9-10)23(24)25)22-7-5-19-6-8-22/h3-4,9,19H,2,5-8H2,1H3,(H4,17,18,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
50% inhibition of human carbonic anhydrase II assayed by CO2 hydration catalyzed by human erythrocytes |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50177180
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
50% inhibition of human carbonic anhydrase II assayed by CO2 hydration catalyzed by human erythrocytes |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50405805
(CHEMBL5289840)Show InChI InChI=1S/C17H25N7/c1-3-13-15(16(19)22-17(20)21-13)11-4-5-14(12(18)10-11)24-8-6-23(2)7-9-24/h4-5,10H,3,6-9,18H2,1-2H3,(H4,19,20,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
50% inhibition of human carbonic anhydrase II assayed by CO2 hydration catalyzed by human erythrocytes |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50405801
(CHEMBL5289950)Show SMILES CCc1nc(N)nc(N)c1-c1ccc(NC(C)c2ccccc2)c(N)c1 Show InChI InChI=1S/C20H24N6/c1-3-16-18(19(22)26-20(23)25-16)14-9-10-17(15(21)11-14)24-12(2)13-7-5-4-6-8-13/h4-12,24H,3,21H2,1-2H3,(H4,22,23,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
50% inhibition of human carbonic anhydrase II assayed by CO2 hydration catalyzed by human erythrocytes |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50405810
(CHEMBL5284610)Show InChI InChI=1S/C15H23N7/c1-2-11-13(14(18)22-15(19)21-11)9-4-5-12(10(17)8-9)20-7-3-6-16/h4-5,8,20H,2-3,6-7,16-17H2,1H3,(H4,18,19,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
50% inhibition of human carbonic anhydrase II assayed by CO2 hydration catalyzed by human erythrocytes |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50177175
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytrx Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against cytosolic malic enzyme |
Bioorg Med Chem Lett 16: 525-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.065
BindingDB Entry DOI: 10.7270/Q2VH5NF4 |
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50177184
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytrx Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against cytosolic malic enzyme |
Bioorg Med Chem Lett 16: 525-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.065
BindingDB Entry DOI: 10.7270/Q2VH5NF4 |
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50405804
(CHEMBL5279230)Show SMILES CCc1nc(N)nc(N)c1-c1ccc(NCCc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C20H22N6O2/c1-2-15-18(19(21)25-20(22)24-15)14-8-9-16(17(12-14)26(27)28)23-11-10-13-6-4-3-5-7-13/h3-9,12,23H,2,10-11H2,1H3,(H4,21,22,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
50% inhibition of human carbonic anhydrase II assayed by CO2 hydration catalyzed by human erythrocytes |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50405798
(CHEMBL5218866)Show InChI InChI=1S/C14H21N7/c1-2-10-12(13(17)21-14(18)20-10)8-3-4-11(9(16)7-8)19-6-5-15/h3-4,7,19H,2,5-6,15-16H2,1H3,(H4,17,18,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 940 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
50% inhibition of human carbonic anhydrase II assayed by CO2 hydration catalyzed by human erythrocytes |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50405818
(CHEMBL5273550)Show SMILES CCc1nc(N)nc(N)c1-c1ccc(N2CCCC2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C16H20N6O2/c1-2-11-14(15(17)20-16(18)19-11)10-5-6-12(13(9-10)22(23)24)21-7-3-4-8-21/h5-6,9H,2-4,7-8H2,1H3,(H4,17,18,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of spermidine synthase activity was evaluated |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50405825
(CHEMBL5286488)Show SMILES CCc1nc(N)nc(N)c1-c1ccc(NCCCN)c(c1)[N+]([O-])=O Show InChI InChI=1S/C15H21N7O2/c1-2-10-13(14(17)21-15(18)20-10)9-4-5-11(19-7-3-6-16)12(8-9)22(23)24/h4-5,8,19H,2-3,6-7,16H2,1H3,(H4,17,18,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against Dihydrofolate reductase in rat liver |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50405822
(CHEMBL5274945)Show InChI InChI=1S/C14H20N6/c1-3-10-12(13(16)20-14(17)19-10)8-5-6-11(18-4-2)9(15)7-8/h5-7,18H,3-4,15H2,1-2H3,(H4,16,17,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of spermidine synthase activity was evaluated |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50405816
(CHEMBL5291081)Show SMILES CCCCNc1ccc(cc1[N+]([O-])=O)-c1c(N)nc(N)nc1CC Show InChI InChI=1S/C16H22N6O2/c1-3-5-8-19-12-7-6-10(9-13(12)22(23)24)14-11(4-2)20-16(18)21-15(14)17/h6-7,9,19H,3-5,8H2,1-2H3,(H4,17,18,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 1.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
50% inhibition of human carbonic anhydrase II assayed by CO2 hydration catalyzed by human erythrocytes |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50405824
(CHEMBL5279589)Show SMILES CCc1nc(N)nc(N)c1-c1ccc(c(c1)N(C)Cc1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C20H22N6O2/c1-3-15-18(19(21)24-20(22)23-15)14-9-10-16(26(27)28)17(11-14)25(2)12-13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3,(H4,21,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 1.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of spermine synthase activity in rat ventral prostrate was evaluated |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50405823
(CHEMBL5286064)Show SMILES CCc1nc(N)nc(N)c1-c1ccc(N(C)C)c(c1)N=[N+]=[N-] Show InChI InChI=1S/C14H18N8/c1-4-9-12(13(15)19-14(16)18-9)8-5-6-11(22(2)3)10(7-8)20-21-17/h5-7H,4H2,1-3H3,(H4,15,16,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of spermine synthase activity in rat ventral prostrate was evaluated |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50405812
(CHEMBL5281297)Show InChI InChI=1S/C19H22N6/c1-2-15-17(18(21)25-19(22)24-15)13-8-9-16(14(20)10-13)23-11-12-6-4-3-5-7-12/h3-10,23H,2,11,20H2,1H3,(H4,21,22,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
50% inhibition of human carbonic anhydrase II assayed by CO2 hydration catalyzed by human erythrocytes |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50405815
(CHEMBL5278596)Show SMILES CCc1nc(N)nc(N)c1-c1ccc(N(C)C)c(c1)[N+]([O-])=O Show InChI InChI=1S/C14H18N6O2/c1-4-9-12(13(15)18-14(16)17-9)8-5-6-10(19(2)3)11(7-8)20(21)22/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
50% inhibition of human carbonic anhydrase II assayed by CO2 hydration catalyzed by human erythrocytes |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50405819
(CHEMBL5282439)Show InChI InChI=1S/C16H24N6/c1-3-5-8-20-13-7-6-10(9-11(13)17)14-12(4-2)21-16(19)22-15(14)18/h6-7,9,20H,3-5,8,17H2,1-2H3,(H4,18,19,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 1.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of spermine synthase activity in rat ventral prostrate was evaluated at 100 uM |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50405826
(CHEMBL5290463)Show InChI InChI=1S/C18H26N6/c1-2-14-16(17(20)24-18(21)23-14)11-8-9-15(13(19)10-11)22-12-6-4-3-5-7-12/h8-10,12,22H,2-7,19H2,1H3,(H4,20,21,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibitory activity against Dihydrofolate reductase in Escherichia coli |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50405820
(CHEMBL5270965)Show SMILES CCc1nc(N)nc(N)c1-c1ccc(N2CCCCC2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C17H22N6O2/c1-2-12-15(16(18)21-17(19)20-12)11-6-7-13(14(10-11)23(24)25)22-8-4-3-5-9-22/h6-7,10H,2-5,8-9H2,1H3,(H4,18,19,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of spermidine synthase activity was evaluated |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50405817
(CHEMBL5267542)Show SMILES CCc1nc(N)nc(N)c1-c1ccc(N2CCN(C)CC2)c(c1)N=[N+]=[N-] Show InChI InChI=1S/C17H23N9/c1-3-12-15(16(18)22-17(19)21-12)11-4-5-14(13(10-11)23-24-20)26-8-6-25(2)7-9-26/h4-5,10H,3,6-9H2,1-2H3,(H4,18,19,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 2.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of spermidine synthase activity was evaluated |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50177177
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytrx Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against cytosolic malic enzyme |
Bioorg Med Chem Lett 16: 525-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.065
BindingDB Entry DOI: 10.7270/Q2VH5NF4 |
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50405821
(CHEMBL5281258)Show SMILES CCc1nc(N)nc(N)c1-c1ccc(N(C)Cc2ccc(OC)cc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C21H24N6O3/c1-4-16-19(20(22)25-21(23)24-16)14-7-10-17(18(11-14)27(28)29)26(2)12-13-5-8-15(30-3)9-6-13/h5-11H,4,12H2,1-3H3,(H4,22,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of spermine synthase activity in rat ventral prostrate was evaluated |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50177179
(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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytrx Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against cytosolic malic enzyme |
Bioorg Med Chem Lett 16: 525-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.065
BindingDB Entry DOI: 10.7270/Q2VH5NF4 |
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50177178
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytrx Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against cytosolic malic enzyme |
Bioorg Med Chem Lett 16: 525-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.065
BindingDB Entry DOI: 10.7270/Q2VH5NF4 |
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50405797
(CHEMBL5277143)Show SMILES CCc1nc(N)nc(N)c1-c1ccc(N2CCCCC2)c(c1)N=[N+]=[N-] Show InChI InChI=1S/C17H22N8/c1-2-12-15(16(18)22-17(19)21-12)11-6-7-14(13(10-11)23-24-20)25-8-4-3-5-9-25/h6-7,10H,2-5,8-9H2,1H3,(H4,18,19,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 1.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
50% inhibition of human carbonic anhydrase II assayed by CO2 hydration catalyzed by human erythrocytes |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50405799
(CHEMBL5283717)Show SMILES CCc1nc(N)nc(N)c1-c1ccc(N2CCOCC2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C16H20N6O3/c1-2-11-14(15(17)20-16(18)19-11)10-3-4-12(13(9-10)22(23)24)21-5-7-25-8-6-21/h3-4,9H,2,5-8H2,1H3,(H4,17,18,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 1.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
50% inhibition of human carbonic anhydrase II assayed by CO2 hydration catalyzed by human erythrocytes |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50177181
(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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytrx Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against cytosolic malic enzyme |
Bioorg Med Chem Lett 16: 525-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.065
BindingDB Entry DOI: 10.7270/Q2VH5NF4 |
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50177182
(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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytrx Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against cytosolic malic enzyme |
Bioorg Med Chem Lett 16: 525-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.065
BindingDB Entry DOI: 10.7270/Q2VH5NF4 |
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50177183
(1-(2,3-dichlorophenyl)-3-(4-(4-methoxyphenyl)piper...)Show SMILES COc1ccc(cc1)N1CCN(CC1)c1cc(O)n(c1O)-c1cccc(Cl)c1Cl |(11.94,-5.56,;11.17,-4.23,;9.63,-4.23,;8.86,-2.9,;7.32,-2.9,;6.55,-4.23,;7.32,-5.56,;8.86,-5.56,;5.01,-4.23,;4.24,-2.9,;2.7,-2.9,;1.93,-4.23,;2.7,-5.56,;4.24,-5.56,;.39,-4.23,;-.51,-5.48,;-1.98,-5,;-3.23,-5.91,;-1.98,-3.46,;-.51,-2.98,;-.04,-1.52,;-3.23,-2.56,;-3.06,-1.02,;-4.31,-.12,;-5.71,-.75,;-5.88,-2.28,;-7.28,-2.91,;-4.63,-3.18,;-4.79,-4.72,)| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytrx Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against cytosolic malic enzyme |
Bioorg Med Chem Lett 16: 525-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.065
BindingDB Entry DOI: 10.7270/Q2VH5NF4 |
More data for this
Ligand-Target Pair | |
NADP-dependent malic enzyme
(Homo sapiens (Human)) | BDBM50177176
(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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytrx Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against cytosolic malic enzyme |
Bioorg Med Chem Lett 16: 525-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.065
BindingDB Entry DOI: 10.7270/Q2VH5NF4 |
More data for this
Ligand-Target Pair | |
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