Compile Data Set for Download or QSAR
Found 6 Enz. Inhib. hit(s) with all data for assayid = 3 entry = 9193
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM429505(Remdesivir | med.21724, Compound 178)
Show SMILES CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)Oc1ccccc1
Show InChI InChI=1S/C27H35N6O8P/c1-4-18(5-2)13-38-26(36)17(3)32-42(37,41-19-9-7-6-8-10-19)39-14-21-23(34)24(35)27(15-28,40-21)22-12-11-20-25(29)30-16-31-33(20)22/h6-12,16-18,21,23-24,34-35H,4-5,13-14H2,1-3H3,(H,32,37)(H2,29,30,31)/t17-,21+,23+,24+,27-,42-/m0/s1
Affinity DataEC50:  770nMAssay Description:Vero-E6 cells were seeded at 4 x 10E5 cells/well in 12-well plates and infected for 1 hour with the SARS-CoV-2 isolate USA-WA1/2020 at an MOI of 0.01...More data for this Ligand-Target Pair
In DepthDetails Article
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM448349(Perampanel, 5)
Show SMILES CCCOc1cc(Cl)cc(c1)C1C=C(C(=O)N(C1=O)c1cccnc1)c1ccccc1C#N
Show InChI InChI=1S/C26H20ClN3O3/c1-2-10-33-21-12-18(11-19(27)13-21)23-14-24(22-8-4-3-6-17(22)15-28)26(32)30(25(23)31)20-7-5-9-29-16-20/h3-9,11-14,16,23H,2,10H2,1H3
Affinity DataEC50:  1.50E+3nMAssay Description:Vero-E6 cells were seeded at 4 x 10E5 cells/well in 12-well plates and infected for 1 hour with the SARS-CoV-2 isolate USA-WA1/2020 at an MOI of 0.01...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM448374(Perampanel, 26)
Show SMILES Clc1cc(OCC2CC2)cc(c1)C1C=C(C(=O)N(C1=O)c1cccnc1)c1ccccc1C#N
Show InChI InChI=1S/C27H20ClN3O3/c28-20-10-19(11-22(12-20)34-16-17-7-8-17)24-13-25(23-6-2-1-4-18(23)14-29)27(33)31(26(24)32)21-5-3-9-30-15-21/h1-6,9-13,15,17,24H,7-8,16H2
Affinity DataEC50:  980nMAssay Description:Vero-E6 cells were seeded at 4 x 10E5 cells/well in 12-well plates and infected for 1 hour with the SARS-CoV-2 isolate USA-WA1/2020 at an MOI of 0.01...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM448369(Perampanel, 21)
Show SMILES Clc1cc(OCc2ccccc2Cl)cc(c1)C1C=C(C(=O)N(C1=O)c1cccnc1)c1c[nH]c(=O)[nH]c1=O
Affinity DataEC50:  1.13E+4nMAssay Description:Vero-E6 cells were seeded at 4 x 10E5 cells/well in 12-well plates and infected for 1 hour with the SARS-CoV-2 isolate USA-WA1/2020 at an MOI of 0.01...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM448371(Perampanel, 23)
Show SMILES Fc1c(Cl)cc(cc1OCc1ccccc1Cl)C1C=C(C(=O)N(C1=O)c1cccnc1)c1c[nH]c(=O)[nH]c1=O
Affinity DataEC50:  840nMAssay Description:Vero-E6 cells were seeded at 4 x 10E5 cells/well in 12-well plates and infected for 1 hour with the SARS-CoV-2 isolate USA-WA1/2020 at an MOI of 0.01...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM448361(Perampanel, 14)
Show SMILES Clc1cc(OCc2ccccc2)cc(c1)C1C=C(C(=O)N(C1=O)c1cccnc1)c1c[nH]c(=O)[nH]c1=O
Affinity DataEC50:  3.20E+3nMAssay Description:Vero-E6 cells were seeded at 4 x 10E5 cells/well in 12-well plates and infected for 1 hour with the SARS-CoV-2 isolate USA-WA1/2020 at an MOI of 0.01...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article