Compile Data Set for Download or QSAR
Found 19 of affinity data for UniProtKB/TrEMBL: P04021
TargetEnvelope phospholipase F13(Vaccinia virus (strain Western Reserve) (VACV) (Va...)
Samara State Technical University

Curated by ChEMBL
LigandPNGBDBM50577060(SIGA-246 | ST 246 | ST-246 | TECOVIRIMAT | Tecovir...)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)NN1C(=O)[C@H]2[C@H]([C@H]3C=C[C@@H]2[C@@H]2C[C@H]32)C1=O
Show InChI InChI=1S/C19H15F3N2O3/c20-19(21,22)9-3-1-8(2-4-9)16(25)23-24-17(26)14-10-5-6-11(13-7-12(10)13)15(14)18(24)27/h1-6,10-15H,7H2,(H,23,25)/t10-,11+,12+,13-,14-,15+
Affinity DataIC50: 2.70nMAssay Description:Inhibition of p37 in Vaccinia virus Copenhagen infected in African green monkey Vero cells assessed as reduction in viral reproduction incubated for ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetEnvelope phospholipase F13(Vaccinia virus (strain Western Reserve) (VACV) (Va...)
Samara State Technical University

Curated by ChEMBL
LigandPNGBDBM50577042(CHEMBL4864184)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C18H20F3NO/c19-18(20,21)15-3-1-14(2-4-15)16(23)22-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,22,23)
Affinity DataIC50: 133nMAssay Description:Inhibition of p37 in Vaccinia virus Copenhagen infected in African green monkey Vero cells assessed as reduction in viral reproduction incubated for ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetEnvelope phospholipase F13(Vaccinia virus (strain Western Reserve) (VACV) (Va...)
Samara State Technical University

Curated by ChEMBL
LigandPNGBDBM50577048(CHEMBL4867155)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C18H20F3NO/c19-18(20,21)15-3-1-12(2-4-15)17(23)22-16-13-6-10-5-11(8-13)9-14(16)7-10/h1-4,10-11,13-14,16H,5-9H2,(H,22,23)
Affinity DataIC50: 216nMAssay Description:Inhibition of p37 in Vaccinia virus Copenhagen infected in African green monkey Vero cells assessed as reduction in viral reproduction incubated for ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetEnvelope phospholipase F13(Vaccinia virus (strain Western Reserve) (VACV) (Va...)
Samara State Technical University

Curated by ChEMBL
LigandPNGBDBM50577045(CHEMBL4871145)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C19H22F3NO/c20-19(21,22)16-3-1-15(2-4-16)17(24)23-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,23,24)
Affinity DataIC50: 270nMAssay Description:Inhibition of p37 in Vaccinia virus Copenhagen infected in African green monkey Vero cells assessed as reduction in viral reproduction incubated for ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetEnvelope phospholipase F13(Vaccinia virus (strain Western Reserve) (VACV) (Va...)
Samara State Technical University

Curated by ChEMBL
LigandPNGBDBM50577057(CHEMBL4878636)
Show SMILES CC(NNC(=O)c1ccc(cc1)C(F)(F)F)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C20H25F3N2O/c1-12(19-9-13-6-14(10-19)8-15(7-13)11-19)24-25-18(26)16-2-4-17(5-3-16)20(21,22)23/h2-5,12-15,24H,6-11H2,1H3,(H,25,26)
Affinity DataIC50: 515nMAssay Description:Inhibition of p37 in Vaccinia virus Copenhagen infected in African green monkey Vero cells assessed as reduction in viral reproduction incubated for ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetEnvelope phospholipase F13(Vaccinia virus (strain Western Reserve) (VACV) (Va...)
Samara State Technical University

Curated by ChEMBL
LigandPNGBDBM50577049(CHEMBL4850454)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C19H21F3N2O2/c20-19(21,22)15-3-1-14(2-4-15)16(25)23-24-17(26)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H,23,25)(H,24,26)
Affinity DataIC50: 1.07E+3nMAssay Description:Inhibition of p37 in Vaccinia virus Copenhagen infected in African green monkey Vero cells assessed as reduction in viral reproduction incubated for ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetEnvelope phospholipase F13(Vaccinia virus (strain Western Reserve) (VACV) (Va...)
Samara State Technical University

Curated by ChEMBL
LigandPNGBDBM50577058(CHEMBL4872088)
Show SMILES CCC12CC3CC(C1)CC(C3)(C2)NNC(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H25F3N2O/c1-2-18-8-13-7-14(9-18)11-19(10-13,12-18)25-24-17(26)15-3-5-16(6-4-15)20(21,22)23/h3-6,13-14,25H,2,7-12H2,1H3,(H,24,26)
Affinity DataIC50: 1.66E+3nMAssay Description:Inhibition of p37 in Vaccinia virus Copenhagen infected in African green monkey Vero cells assessed as reduction in viral reproduction incubated for ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetEnvelope phospholipase F13(Vaccinia virus (strain Western Reserve) (VACV) (Va...)
Samara State Technical University

Curated by ChEMBL
LigandPNGBDBM50577054(CHEMBL4857491)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)NNC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C18H21F3N2O/c19-18(20,21)15-3-1-12(2-4-15)17(24)23-22-16-13-6-10-5-11(8-13)9-14(16)7-10/h1-4,10-11,13-14,16,22H,5-9H2,(H,23,24)
Affinity DataIC50: 2.80E+3nMAssay Description:Inhibition of p37 in Vaccinia virus Copenhagen infected in African green monkey Vero cells assessed as reduction in viral reproduction incubated for ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetEnvelope phospholipase F13(Vaccinia virus (strain Western Reserve) (VACV) (Va...)
Samara State Technical University

Curated by ChEMBL
LigandPNGBDBM50577047(CHEMBL4865942)
Show SMILES Brc1ccc(cc1)C(=O)NC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C17H20BrNO/c18-15-3-1-12(2-4-15)17(20)19-16-13-6-10-5-11(8-13)9-14(16)7-10/h1-4,10-11,13-14,16H,5-9H2,(H,19,20)
Affinity DataIC50: 3.06E+3nMAssay Description:Inhibition of p37 in Vaccinia virus Copenhagen infected in African green monkey Vero cells assessed as reduction in viral reproduction incubated for ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetEnvelope phospholipase F13(Vaccinia virus (strain Western Reserve) (VACV) (Va...)
Samara State Technical University

Curated by ChEMBL
LigandPNGBDBM50577055(CHEMBL4852852)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)NNC1C2CC3CC1CC(Cl)(C3)C2
Show InChI InChI=1S/C18H20ClF3N2O/c19-17-7-10-5-12(8-17)15(13(6-10)9-17)23-24-16(25)11-1-3-14(4-2-11)18(20,21)22/h1-4,10,12-13,15,23H,5-9H2,(H,24,25)
Affinity DataIC50: 3.52E+3nMAssay Description:Inhibition of p37 in Vaccinia virus Copenhagen infected in African green monkey Vero cells assessed as reduction in viral reproduction incubated for ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetEnvelope phospholipase F13(Vaccinia virus (strain Western Reserve) (VACV) (Va...)
Samara State Technical University

Curated by ChEMBL
LigandPNGBDBM50577043(CHEMBL4879134)
Show SMILES CCC12CC3CC(C1)CC(C3)(C2)NC(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H24F3NO/c1-2-18-8-13-7-14(9-18)11-19(10-13,12-18)24-17(25)15-3-5-16(6-4-15)20(21,22)23/h3-6,13-14H,2,7-12H2,1H3,(H,24,25)
Affinity DataIC50: 4.10E+3nMAssay Description:Inhibition of p37 in Vaccinia virus Copenhagen infected in African green monkey Vero cells assessed as reduction in viral reproduction incubated for ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetEnvelope phospholipase F13(Vaccinia virus (strain Western Reserve) (VACV) (Va...)
Samara State Technical University

Curated by ChEMBL
LigandPNGBDBM50577044(CHEMBL4877767)
Show SMILES CN(C(=O)c1ccc(cc1)C(F)(F)F)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C19H22F3NO/c1-23(17(24)15-2-4-16(5-3-15)19(20,21)22)18-9-12-6-13(10-18)8-14(7-12)11-18/h2-5,12-14H,6-11H2,1H3
Affinity DataIC50: 4.85E+3nMAssay Description:Inhibition of p37 in Vaccinia virus Copenhagen infected in African green monkey Vero cells assessed as reduction in viral reproduction incubated for ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetEnvelope phospholipase F13(Vaccinia virus (strain Western Reserve) (VACV) (Va...)
Samara State Technical University

Curated by ChEMBL
LigandPNGBDBM50577046(CHEMBL4860346)
Show SMILES Brc1ccc(cc1)C(=O)NCC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C18H22BrNO/c19-16-3-1-15(2-4-16)17(21)20-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,20,21)
Affinity DataIC50: 8.30E+3nMAssay Description:Inhibition of p37 in Vaccinia virus Copenhagen infected in African green monkey Vero cells assessed as reduction in viral reproduction incubated for ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetEnvelope phospholipase F13(Vaccinia virus (strain Western Reserve) (VACV) (Va...)
Samara State Technical University

Curated by ChEMBL
LigandPNGBDBM50577059(CHEMBL4856490)
Show SMILES CC12CC3CC(C1)CC(C3)(C2)NC(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H22F3NO/c1-17-7-12-6-13(8-17)10-18(9-12,11-17)23-16(24)14-2-4-15(5-3-14)19(20,21)22/h2-5,12-13H,6-11H2,1H3,(H,23,24)
Affinity DataIC50: 8.98E+3nMAssay Description:Inhibition of p37 in Vaccinia virus Copenhagen infected in African green monkey Vero cells assessed as reduction in viral reproduction incubated for ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetEnvelope phospholipase F13(Vaccinia virus (strain Western Reserve) (VACV) (Va...)
Samara State Technical University

Curated by ChEMBL
LigandPNGBDBM50577056(CHEMBL4853135)
Show SMILES C\C(=N/NC(=O)c1ccc(cc1)C(F)(F)F)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C20H23F3N2O/c1-12(19-9-13-6-14(10-19)8-15(7-13)11-19)24-25-18(26)16-2-4-17(5-3-16)20(21,22)23/h2-5,13-15H,6-11H2,1H3,(H,25,26)/b24-12+
Affinity DataIC50: 1.06E+4nMAssay Description:Inhibition of p37 in Vaccinia virus Copenhagen infected in African green monkey Vero cells assessed as reduction in viral reproduction incubated for ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetEnvelope phospholipase F13(Vaccinia virus (strain Western Reserve) (VACV) (Va...)
Samara State Technical University

Curated by ChEMBL
LigandPNGBDBM50577051(CHEMBL4865823)
Show SMILES CCC12CC3CC(C1)CC(C3)(C2)C(=O)NNC(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H25F3N2O2/c1-2-19-8-13-7-14(9-19)11-20(10-13,12-19)18(28)26-25-17(27)15-3-5-16(6-4-15)21(22,23)24/h3-6,13-14H,2,7-12H2,1H3,(H,25,27)(H,26,28)
Affinity DataIC50: 1.25E+4nMAssay Description:Inhibition of p37 in Vaccinia virus Copenhagen infected in African green monkey Vero cells assessed as reduction in viral reproduction incubated for ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetEnvelope phospholipase F13(Vaccinia virus (strain Western Reserve) (VACV) (Va...)
Samara State Technical University

Curated by ChEMBL
LigandPNGBDBM50577050(CHEMBL4873414)
Show SMILES CC12CC3CC(C)(C1)CC(C3)(C2)C(=O)NNC(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H25F3N2O2/c1-18-7-13-8-19(2,10-18)12-20(9-13,11-18)17(28)26-25-16(27)14-3-5-15(6-4-14)21(22,23)24/h3-6,13H,7-12H2,1-2H3,(H,25,27)(H,26,28)
Affinity DataIC50: 3.09E+4nMAssay Description:Inhibition of p37 in Vaccinia virus Copenhagen infected in African green monkey Vero cells assessed as reduction in viral reproduction incubated for ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetEnvelope phospholipase F13(Vaccinia virus (strain Western Reserve) (VACV) (Va...)
Samara State Technical University

Curated by ChEMBL
LigandPNGBDBM50577052(CHEMBL4866978)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)NNC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C19H22F3N3O2/c20-19(21,22)15-3-1-14(2-4-15)16(26)24-25-17(27)23-18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H,24,26)(H2,23,25,27)
Affinity DataIC50: 3.63E+4nMAssay Description:Inhibition of p37 in Vaccinia virus Copenhagen infected in African green monkey Vero cells assessed as reduction in viral reproduction incubated for ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetEnvelope phospholipase F13(Vaccinia virus (strain Western Reserve) (VACV) (Va...)
Samara State Technical University

Curated by ChEMBL
LigandPNGBDBM50577053(CHEMBL4876679)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)NN=C1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C18H19F3N2O/c19-18(20,21)15-3-1-12(2-4-15)17(24)23-22-16-13-6-10-5-11(8-13)9-14(16)7-10/h1-4,10-11,13-14H,5-9H2,(H,23,24)/b22-16-
Affinity DataIC50: 1.98E+5nMAssay Description:Inhibition of p37 in Vaccinia virus Copenhagen infected in African green monkey Vero cells assessed as reduction in viral reproduction incubated for ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed