Compile Data Set for Download or QSAR
Found 18 Enz. Inhib. hit(s) with all data for entry = 50010887
TargetAlpha-enolase(Homo sapiens (Human))
University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50543112(Evofosfamide | HAP-302 | TH-302)
Show SMILES Cn1c(COP(=O)(NCCBr)NCCBr)cnc1[N+]([O-])=O
Show InChI InChI=1S/C9H16Br2N5O4P/c1-15-8(6-12-9(15)16(17)18)7-20-21(19,13-4-2-10)14-5-3-11/h6H,2-5,7H2,1H3,(H2,13,14,19)
Affinity DataIC50: 301nMAssay Description:Inhibition of ENO1 in overexpressed human D423 cells incubated for 5 days in presence of 1 % oxygen by crystal violet staining based spectrophotometr...More data for this Ligand-Target Pair
TargetAlpha-enolase(Homo sapiens (Human))
University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50543110(CHEMBL4647008)
Show SMILES CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)C1CCCN(O)C1=O
Show InChI InChI=1S/C17H30NO9P/c1-16(2,3)14(20)24-10-26-28(23,12-8-7-9-18(22)13(12)19)27-11-25-15(21)17(4,5)6/h12,22H,7-11H2,1-6H3
Affinity DataIC50: 604nMAssay Description:Inhibition of ENO1 in overexpressed human D423 cells incubated for 5 days by crystal violet staining based spectrophotometryMore data for this Ligand-Target Pair
TargetAlpha-enolase(Homo sapiens (Human))
University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50543110(CHEMBL4647008)
Show SMILES CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)C1CCCN(O)C1=O
Show InChI InChI=1S/C17H30NO9P/c1-16(2,3)14(20)24-10-26-28(23,12-8-7-9-18(22)13(12)19)27-11-25-15(21)17(4,5)6/h12,22H,7-11H2,1-6H3
Affinity DataIC50: 720nMAssay Description:Inhibition of ENO1 in overexpressed human D423 cells incubated for 5 days in presence of 21 % oxygen by crystal violet staining based spectrophotomet...More data for this Ligand-Target Pair
TargetAlpha-enolase(Homo sapiens (Human))
University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50543112(Evofosfamide | HAP-302 | TH-302)
Show SMILES Cn1c(COP(=O)(NCCBr)NCCBr)cnc1[N+]([O-])=O
Show InChI InChI=1S/C9H16Br2N5O4P/c1-15-8(6-12-9(15)16(17)18)7-20-21(19,13-4-2-10)14-5-3-11/h6H,2-5,7H2,1H3,(H2,13,14,19)
Affinity DataIC50: 897nMAssay Description:Inhibition of ENO1 in wild-type human LN319 cells incubated for 5 days in presence of 1 % oxygen by crystal violet staining based spectrophotometryMore data for this Ligand-Target Pair
TargetAlpha-enolase(Homo sapiens (Human))
University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50543110(CHEMBL4647008)
Show SMILES CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)C1CCCN(O)C1=O
Show InChI InChI=1S/C17H30NO9P/c1-16(2,3)14(20)24-10-26-28(23,12-8-7-9-18(22)13(12)19)27-11-25-15(21)17(4,5)6/h12,22H,7-11H2,1-6H3
Affinity DataIC50: 1.81E+3nMAssay Description:Inhibition of ENO1 in wild-type human LN319 cells incubated for 5 days in presence of 1 % oxygen by crystal violet staining based spectrophotometryMore data for this Ligand-Target Pair
TargetAlpha-enolase(Homo sapiens (Human))
University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50543110(CHEMBL4647008)
Show SMILES CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)C1CCCN(O)C1=O
Show InChI InChI=1S/C17H30NO9P/c1-16(2,3)14(20)24-10-26-28(23,12-8-7-9-18(22)13(12)19)27-11-25-15(21)17(4,5)6/h12,22H,7-11H2,1-6H3
Affinity DataIC50: 2.15E+3nMAssay Description:Inhibition of ENO1 in wild-type human LN319 cells incubated for 5 days by crystal violet staining based spectrophotometryMore data for this Ligand-Target Pair
TargetAlpha-enolase(Homo sapiens (Human))
University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50543110(CHEMBL4647008)
Show SMILES CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)C1CCCN(O)C1=O
Show InChI InChI=1S/C17H30NO9P/c1-16(2,3)14(20)24-10-26-28(23,12-8-7-9-18(22)13(12)19)27-11-25-15(21)17(4,5)6/h12,22H,7-11H2,1-6H3
Affinity DataIC50: 2.41E+3nMAssay Description:Inhibition of ENO1 in wild-type human LN319 cells incubated for 5 days in presence of 21 % oxygen by crystal violet staining based spectrophotometryMore data for this Ligand-Target Pair
TargetAlpha-enolase(Homo sapiens (Human))
University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50543112(Evofosfamide | HAP-302 | TH-302)
Show SMILES Cn1c(COP(=O)(NCCBr)NCCBr)cnc1[N+]([O-])=O
Show InChI InChI=1S/C9H16Br2N5O4P/c1-15-8(6-12-9(15)16(17)18)7-20-21(19,13-4-2-10)14-5-3-11/h6H,2-5,7H2,1H3,(H2,13,14,19)
Affinity DataIC50: 2.55E+3nMAssay Description:Inhibition of ENO1 in overexpressed human D423 cells incubated for 5 days in presence of 21 % oxygen by crystal violet staining based spectrophotomet...More data for this Ligand-Target Pair
TargetAlpha-enolase(Homo sapiens (Human))
University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50543110(CHEMBL4647008)
Show SMILES CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)C1CCCN(O)C1=O
Show InChI InChI=1S/C17H30NO9P/c1-16(2,3)14(20)24-10-26-28(23,12-8-7-9-18(22)13(12)19)27-11-25-15(21)17(4,5)6/h12,22H,7-11H2,1-6H3
Affinity DataIC50: 2.81E+3nMAssay Description:Inhibition of ENO1 in overexpressed human D423 cells incubated for 5 days in presence of 1 % oxygen by crystal violet staining based spectrophotometr...More data for this Ligand-Target Pair
TargetAlpha-enolase(Homo sapiens (Human))
University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50543111(CHEMBL4633981)
Show SMILES CC(C)(C)C(=O)OCOP(=O)(NCc1ccccc1)C1CCCN(O)C1=O
Show InChI InChI=1S/C18H27N2O6P/c1-18(2,3)17(22)25-13-26-27(24,15-10-7-11-20(23)16(15)21)19-12-14-8-5-4-6-9-14/h4-6,8-9,15,23H,7,10-13H2,1-3H3,(H,19,24)
Affinity DataIC50: 3.95E+3nMAssay Description:Inhibition of ENO1 in overexpressed human D423 cells incubated for 5 days by crystal violet staining based spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAlpha-enolase(Homo sapiens (Human))
University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50543111(CHEMBL4633981)
Show SMILES CC(C)(C)C(=O)OCOP(=O)(NCc1ccccc1)C1CCCN(O)C1=O
Show InChI InChI=1S/C18H27N2O6P/c1-18(2,3)17(22)25-13-26-27(24,15-10-7-11-20(23)16(15)21)19-12-14-8-5-4-6-9-14/h4-6,8-9,15,23H,7,10-13H2,1-3H3,(H,19,24)
Affinity DataIC50: 4.02E+3nMAssay Description:Inhibition of ENO1 in wild-type human LN319 cells incubated for 5 days by crystal violet staining based spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAlpha-enolase(Homo sapiens (Human))
University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50543112(Evofosfamide | HAP-302 | TH-302)
Show SMILES Cn1c(COP(=O)(NCCBr)NCCBr)cnc1[N+]([O-])=O
Show InChI InChI=1S/C9H16Br2N5O4P/c1-15-8(6-12-9(15)16(17)18)7-20-21(19,13-4-2-10)14-5-3-11/h6H,2-5,7H2,1H3,(H2,13,14,19)
Affinity DataIC50: 4.84E+3nMAssay Description:Inhibition of ENO1 in wild-type human LN319 cells incubated for 5 days in presence of 21 % oxygen by crystal violet staining based spectrophotometryMore data for this Ligand-Target Pair
TargetAlpha-enolase(Homo sapiens (Human))
University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50543113(CHEMBL4643988)
Show SMILES CC(=O)ON1CCCC(C1=O)P(=O)(NCc1ccccc1)OCc1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C19H22N3O8P/c1-14(23)30-21-11-5-8-17(19(21)24)31(27,20-12-15-6-3-2-4-7-15)28-13-16-9-10-18(29-16)22(25)26/h2-4,6-7,9-10,17H,5,8,11-13H2,1H3,(H,20,27)
Affinity DataIC50: 5.76E+3nMAssay Description:Inhibition of ENO1 in overexpressed human D423 cells incubated for 5 days in presence of 1 % oxygen by crystal violet staining based spectrophotometr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAlpha-enolase(Homo sapiens (Human))
University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50543113(CHEMBL4643988)
Show SMILES CC(=O)ON1CCCC(C1=O)P(=O)(NCc1ccccc1)OCc1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C19H22N3O8P/c1-14(23)30-21-11-5-8-17(19(21)24)31(27,20-12-15-6-3-2-4-7-15)28-13-16-9-10-18(29-16)22(25)26/h2-4,6-7,9-10,17H,5,8,11-13H2,1H3,(H,20,27)
Affinity DataIC50: 7.84E+3nMAssay Description:Inhibition of ENO1 in wild-type human LN319 cells incubated for 5 days in presence of 1 % oxygen by crystal violet staining based spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAlpha-enolase(Homo sapiens (Human))
University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50543113(CHEMBL4643988)
Show SMILES CC(=O)ON1CCCC(C1=O)P(=O)(NCc1ccccc1)OCc1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C19H22N3O8P/c1-14(23)30-21-11-5-8-17(19(21)24)31(27,20-12-15-6-3-2-4-7-15)28-13-16-9-10-18(29-16)22(25)26/h2-4,6-7,9-10,17H,5,8,11-13H2,1H3,(H,20,27)
Affinity DataIC50: 2.11E+4nMAssay Description:Inhibition of ENO1 in wild-type human LN319 cells incubated for 5 days in presence of 21 % oxygen by crystal violet staining based spectrophotometryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAlpha-enolase(Homo sapiens (Human))
University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50543113(CHEMBL4643988)
Show SMILES CC(=O)ON1CCCC(C1=O)P(=O)(NCc1ccccc1)OCc1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C19H22N3O8P/c1-14(23)30-21-11-5-8-17(19(21)24)31(27,20-12-15-6-3-2-4-7-15)28-13-16-9-10-18(29-16)22(25)26/h2-4,6-7,9-10,17H,5,8,11-13H2,1H3,(H,20,27)
Affinity DataIC50: 2.59E+4nMAssay Description:Inhibition of ENO1 in overexpressed human D423 cells incubated for 5 days in presence of 21 % oxygen by crystal violet staining based spectrophotomet...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAlpha-enolase(Homo sapiens (Human))
University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50543109(CHEMBL4647387)
Show SMILES ON1CCCC(C1=O)P(O)(O)=O
Show InChI InChI=1S/C5H10NO5P/c7-5-4(12(9,10)11)2-1-3-6(5)8/h4,8H,1-3H2,(H2,9,10,11)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of ENO1 in wild-type human LN319 cells incubated for 5 days by crystal violet staining based spectrophotometryMore data for this Ligand-Target Pair
TargetAlpha-enolase(Homo sapiens (Human))
University of Texas MD Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50543109(CHEMBL4647387)
Show SMILES ON1CCCC(C1=O)P(O)(O)=O
Show InChI InChI=1S/C5H10NO5P/c7-5-4(12(9,10)11)2-1-3-6(5)8/h4,8H,1-3H2,(H2,9,10,11)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of ENO1 in overexpressed human D423 cells incubated for 5 days by crystal violet staining based spectrophotometryMore data for this Ligand-Target Pair