BindingDB logo
myBDB logout

PubMed code 35439007

Compile data set for download or QSAR
Found 39 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Replicase polyprotein 1ab


(2019-nCoV)
BDBM533526
PNG
(jm2c00120, Compound 25)
Show SMILES CCN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)S(=O)(=O)c1ccc(OC)c(c1)C#N
Show InChI InChI=1S/C20H23N7O6S/c1-3-26(34(30,31)12-4-5-13(32-2)11(6-12)7-21)8-14-16(28)17(29)20(33-14)27-10-25-15-18(22)23-9-24-19(15)27/h4-6,9-10,14,16-17,20,28-29H,3,8H2,1-2H3,(H2,22,23,24)/t14-,16-,17-,20-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 19n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM533538
PNG
(jm2c00120, Compound 35)
Show SMILES COc1ccc(cc1[N+]([O-])=O)S(=O)(=O)N(CCCCN1C(=O)c2ccccc2C1=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C29H30N8O10S/c1-46-20-9-8-16(12-19(20)37(42)43)48(44,45)34(10-4-5-11-35-27(40)17-6-2-3-7-18(17)28(35)41)13-21-23(38)24(39)29(47-21)36-15-33-22-25(30)31-14-32-26(22)36/h2-3,6-9,12,14-15,21,23-24,29,38-39H,4-5,10-11,13H2,1H3,(H2,30,31,32)/t21-,23-,24-,29-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 30n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM533519
PNG
(jm2c00120, Compound 18)
Show SMILES CCN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)S(=O)(=O)c1ccc(C)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C19H23N7O7S/c1-3-24(34(31,32)11-5-4-10(2)12(6-11)26(29)30)7-13-15(27)16(28)19(33-13)25-9-23-14-17(20)21-8-22-18(14)25/h4-6,8-9,13,15-16,19,27-28H,3,7H2,1-2H3,(H2,20,21,22)/t13-,15-,16-,19-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 38n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM533520
PNG
(jm2c00120, Compound 19)
Show SMILES CCN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)S(=O)(=O)c1ccc(OC)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C19H23N7O8S/c1-3-24(35(31,32)10-4-5-12(33-2)11(6-10)26(29)30)7-13-15(27)16(28)19(34-13)25-9-23-14-17(20)21-8-22-18(14)25/h4-6,8-9,13,15-16,19,27-28H,3,7H2,1-2H3,(H2,20,21,22)/t13-,15-,16-,19-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 44n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM533535
PNG
(jm2c00120, Compound 32)
Show SMILES CCN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)S(=O)(=O)c1ccc(C)c(Cl)c1
Show InChI InChI=1S/C19H23ClN6O5S/c1-3-25(32(29,30)11-5-4-10(2)12(20)6-11)7-13-15(27)16(28)19(31-13)26-9-24-14-17(21)22-8-23-18(14)26/h4-6,8-9,13,15-16,19,27-28H,3,7H2,1-2H3,(H2,21,22,23)/t13-,15-,16-,19-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 56n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM533537
PNG
(jm2c00120, Compound 34)
Show SMILES COc1ccc(cc1[N+]([O-])=O)S(=O)(=O)N(CCCCOC(C)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C23H29N7O10S/c1-13(31)39-8-4-3-7-28(41(36,37)14-5-6-16(38-2)15(9-14)30(34)35)10-17-19(32)20(33)23(40-17)29-12-27-18-21(24)25-11-26-22(18)29/h5-6,9,11-12,17,19-20,23,32-33H,3-4,7-8,10H2,1-2H3,(H2,24,25,26)/t17-,19-,20-,23-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 80n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM533518
PNG
(jm2c00120, Compound 17)
Show SMILES CCN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)S(=O)(=O)c1ccc(Br)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C18H20BrN7O7S/c1-2-24(34(31,32)9-3-4-10(19)11(5-9)26(29)30)6-12-14(27)15(28)18(33-12)25-8-23-13-16(20)21-7-22-17(13)25/h3-5,7-8,12,14-15,18,27-28H,2,6H2,1H3,(H2,20,21,22)/t12-,14-,15-,18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 80n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM533534
PNG
(jm2c00120, Compound 31)
Show SMILES CCN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)S(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H20Cl2N6O5S/c1-2-25(32(29,30)9-3-4-10(19)11(20)5-9)6-12-14(27)15(28)18(31-12)26-8-24-13-16(21)22-7-23-17(13)26/h3-5,7-8,12,14-15,18,27-28H,2,6H2,1H3,(H2,21,22,23)/t12-,14-,15-,18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 100n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM533536
PNG
(jm2c00120, Compound 33)
Show SMILES CCOC(=O)CCCCN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)S(=O)(=O)c1ccc(OC)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C24H31N7O10S/c1-3-40-18(32)6-4-5-9-29(42(37,38)14-7-8-16(39-2)15(10-14)31(35)36)11-17-20(33)21(34)24(41-17)30-13-28-19-22(25)26-12-27-23(19)30/h7-8,10,12-13,17,20-21,24,33-34H,3-6,9,11H2,1-2H3,(H2,25,26,27)/t17-,20-,21-,24-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 114n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM533515
PNG
(jm2c00120, Compound 15)
Show SMILES COc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C17H19N7O8S/c1-31-10-3-2-8(4-9(10)24(27)28)33(29,30)22-5-11-13(25)14(26)17(32-11)23-7-21-12-15(18)19-6-20-16(12)23/h2-4,6-7,11,13-14,17,22,25-26H,5H2,1H3,(H2,18,19,20)/t11-,13-,14-,17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 146n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM533514
PNG
(jm2c00120, Compound 14)
Show SMILES CCc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C18H21N7O7S/c1-2-9-3-4-10(5-11(9)25(28)29)33(30,31)23-6-12-14(26)15(27)18(32-12)24-8-22-13-16(19)20-7-21-17(13)24/h3-5,7-8,12,14-15,18,23,26-27H,2,6H2,1H3,(H2,19,20,21)/t12-,14-,15-,18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 244n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50378739
PNG
(SINEFUNGIN | jm2c00120, Sinefungin)
Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
Purchase

CHEBI
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PubMed
n/an/a 278n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM533513
PNG
(jm2c00120, Compound 13)
Show SMILES Cc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C17H19N7O7S/c1-8-2-3-9(4-10(8)24(27)28)32(29,30)22-5-11-13(25)14(26)17(31-11)23-7-21-12-15(18)19-6-20-16(12)23/h2-4,6-7,11,13-14,17,22,25-26H,5H2,1H3,(H2,18,19,20)/t11-,13-,14-,17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 342n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM533529
PNG
(jm2c00120, Compound 29)
Show SMILES Cc1ccc(cc1Cl)S(=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C17H19ClN6O5S/c1-8-2-3-9(4-10(8)18)30(27,28)23-5-11-13(25)14(26)17(29-11)24-7-22-12-15(19)20-6-21-16(12)24/h2-4,6-7,11,13-14,17,23,25-26H,5H2,1H3,(H2,19,20,21)/t11-,13-,14-,17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 344n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50378739
PNG
(SINEFUNGIN | jm2c00120, Sinefungin)
Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
Purchase

CHEBI
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PubMed
n/an/a 360n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM533531
PNG
(jm2c00120, Compound 30)
Show SMILES CCN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H21ClN6O5S/c1-2-24(31(28,29)11-5-3-4-10(19)6-11)7-12-14(26)15(27)18(30-12)25-9-23-13-16(20)21-8-22-17(13)25/h3-6,8-9,12,14-15,18,26-27H,2,7H2,1H3,(H2,20,21,22)/t12-,14-,15-,18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 442n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM533528
PNG
(jm2c00120, Compound 28)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H16Cl2N6O5S/c17-8-2-1-7(3-9(8)18)30(27,28)23-4-10-12(25)13(26)16(29-10)24-6-22-11-14(19)20-5-21-15(11)24/h1-3,5-6,10,12-13,16,23,25-26H,4H2,(H2,19,20,21)/t10-,12-,13-,16-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 482n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM533524
PNG
(jm2c00120, Compound 23)
Show SMILES COc1ccc(cc1C#N)S(=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C18H19N7O6S/c1-30-11-3-2-10(4-9(11)5-19)32(28,29)24-6-12-14(26)15(27)18(31-12)25-8-23-13-16(20)21-7-22-17(13)25/h2-4,7-8,12,14-15,18,24,26-27H,6H2,1H3,(H2,20,21,22)/t12-,14-,15-,18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 514n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM533516
PNG
(jm2c00120, Compound 16)
Show SMILES CCN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)S(=O)(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C18H21N7O7S/c1-2-23(33(30,31)11-5-3-4-10(6-11)25(28)29)7-12-14(26)15(27)18(32-12)24-9-22-13-16(19)20-8-21-17(13)24/h3-6,8-9,12,14-15,18,26-27H,2,7H2,1H3,(H2,19,20,21)/t12-,14-,15-,18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 516n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM533522
PNG
(jm2c00120, Compound 21)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(F)c(c2)C#N)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H16FN7O5S/c18-10-2-1-9(3-8(10)4-19)31(28,29)24-5-11-13(26)14(27)17(30-11)25-7-23-12-15(20)21-6-22-16(12)25/h1-3,6-7,11,13-14,17,24,26-27H,5H2,(H2,20,21,22)/t11-,13-,14-,17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 899n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM533525
PNG
(jm2c00120, Compound 24)
Show SMILES CCN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)S(=O)(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C19H21N7O5S/c1-2-25(32(29,30)12-5-3-4-11(6-12)7-20)8-13-15(27)16(28)19(31-13)26-10-24-14-17(21)22-9-23-18(14)26/h3-6,9-10,13,15-16,19,27-28H,2,8H2,1H3,(H2,21,22,23)/t13-,15-,16-,19-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 960n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM533523
PNG
(jm2c00120, Compound 22)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(Cl)c(c2)C#N)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H16ClN7O5S/c18-10-2-1-9(3-8(10)4-19)31(28,29)24-5-11-13(26)14(27)17(30-11)25-7-23-12-15(20)21-6-22-16(12)25/h1-3,6-7,11,13-14,17,24,26-27H,5H2,(H2,20,21,22)/t11-,13-,14-,17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 1.01E+3n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM533508
PNG
(jm2c00120, Compound 7)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H16ClN7O7S/c17-8-2-1-7(3-9(8)24(27)28)32(29,30)22-4-10-12(25)13(26)16(31-10)23-6-21-11-14(18)19-5-20-15(11)23/h1-3,5-6,10,12-13,16,22,25-26H,4H2,(H2,18,19,20)/t10-,12-,13-,16-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM533504
PNG
(jm2c00120, Compound 5)
Show SMILES COc1ccc(c(c1)[N+]([O-])=O)S(=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C17H19N7O8S/c1-31-8-2-3-11(9(4-8)24(27)28)33(29,30)22-5-10-13(25)14(26)17(32-10)23-7-21-12-15(18)19-6-20-16(12)23/h2-4,6-7,10,13-14,17,22,25-26H,5H2,1H3,(H2,18,19,20)/t10-,13-,14-,17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 1.44E+3n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM533508
PNG
(jm2c00120, Compound 7)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H16ClN7O7S/c17-8-2-1-7(3-9(8)24(27)28)32(29,30)22-4-10-12(25)13(26)16(31-10)23-6-21-11-14(18)19-5-20-15(11)23/h1-3,5-6,10,12-13,16,22,25-26H,4H2,(H2,18,19,20)/t10-,12-,13-,16-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 2.07E+3n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM533504
PNG
(jm2c00120, Compound 5)
Show SMILES COc1ccc(c(c1)[N+]([O-])=O)S(=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C17H19N7O8S/c1-31-8-2-3-11(9(4-8)24(27)28)33(29,30)22-5-10-13(25)14(26)17(32-10)23-7-21-12-15(18)19-6-20-16(12)23/h2-4,6-7,10,13-14,17,22,25-26H,5H2,1H3,(H2,18,19,20)/t10-,13-,14-,17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM533512
PNG
(jm2c00120, Compound 12)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(Br)c(c2)[N+]([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H16BrN7O7S/c17-8-2-1-7(3-9(8)24(27)28)32(29,30)22-4-10-12(25)13(26)16(31-10)23-6-21-11-14(18)19-5-20-15(11)23/h1-3,5-6,10,12-13,16,22,25-26H,4H2,(H2,18,19,20)/t10-,12-,13-,16-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM533507
PNG
(jm2c00120, Compound 6)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(cc2[N+]([O-])=O)C(F)(F)F)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H16F3N7O7S/c18-17(19,20)7-1-2-10(8(3-7)27(30)31)35(32,33)25-4-9-12(28)13(29)16(34-9)26-6-24-11-14(21)22-5-23-15(11)26/h1-3,5-6,9,12-13,16,25,28-29H,4H2,(H2,21,22,23)/t9-,12-,13-,16-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM533507
PNG
(jm2c00120, Compound 6)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(cc2[N+]([O-])=O)C(F)(F)F)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H16F3N7O7S/c18-17(19,20)7-1-2-10(8(3-7)27(30)31)35(32,33)25-4-9-12(28)13(29)16(34-9)26-6-24-11-14(21)22-5-23-15(11)26/h1-3,5-6,9,12-13,16,25,28-29H,4H2,(H2,21,22,23)/t9-,12-,13-,16-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 3.49E+3n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM533510
PNG
(jm2c00120, Compound 10)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2cccc(c2)[N+]([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H17N7O7S/c17-14-11-15(19-6-18-14)22(7-20-11)16-13(25)12(24)10(30-16)5-21-31(28,29)9-3-1-2-8(4-9)23(26)27/h1-4,6-7,10,12-13,16,21,24-25H,5H2,(H2,17,18,19)/t10-,12-,13-,16-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 3.59E+3n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM533511
PNG
(jm2c00120, Compound 11)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(F)c(c2)[N+]([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H16FN7O7S/c17-8-2-1-7(3-9(8)24(27)28)32(29,30)22-4-10-12(25)13(26)16(31-10)23-6-21-11-14(18)19-5-20-15(11)23/h1-3,5-6,10,12-13,16,22,25-26H,4H2,(H2,18,19,20)/t10-,12-,13-,16-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM533509
PNG
(jm2c00120, Compound 9)
Show SMILES CCN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)S(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(F)(F)F
Show InChI InChI=1S/C19H20F3N7O7S/c1-2-27(37(34,35)12-4-3-9(19(20,21)22)5-10(12)29(32)33)6-11-14(30)15(31)18(36-11)28-8-26-13-16(23)24-7-25-17(13)28/h3-5,7-8,11,14-15,18,30-31H,2,6H2,1H3,(H2,23,24,25)/t11-,14-,15-,18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM533521
PNG
(jm2c00120, Compound 20)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2cccc(c2)C#N)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H17N7O5S/c18-5-9-2-1-3-10(4-9)30(27,28)23-6-11-13(25)14(26)17(29-11)24-8-22-12-15(19)20-7-21-16(12)24/h1-4,7-8,11,13-14,17,23,25-26H,6H2,(H2,19,20,21)/t11-,13-,14-,17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 5.30E+3n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM533501
PNG
(jm2c00120, Compound 2)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H17N7O7S/c17-14-11-15(19-6-18-14)22(7-20-11)16-13(25)12(24)10(30-16)5-21-31(28,29)9-3-1-8(2-4-9)23(26)27/h1-4,6-7,10,12-13,16,21,24-25H,5H2,(H2,17,18,19)/t10-,12-,13-,16-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 7.60E+3n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM533527
PNG
(jm2c00120, Compound 26)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H17ClN6O5S/c17-8-1-3-9(4-2-8)29(26,27)22-5-10-12(24)13(25)16(28-10)23-7-21-11-14(18)19-6-20-15(11)23/h1-4,6-7,10,12-13,16,22,24-25H,5H2,(H2,18,19,20)/t10-,12-,13-,16-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM533501
PNG
(jm2c00120, Compound 2)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H17N7O7S/c17-14-11-15(19-6-18-14)22(7-20-11)16-13(25)12(24)10(30-16)5-21-31(28,29)9-3-1-8(2-4-9)23(26)27/h1-4,6-7,10,12-13,16,21,24-25H,5H2,(H2,17,18,19)/t10-,12-,13-,16-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 1.41E+4n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM533502
PNG
(jm2c00120, Compound 3)
Show SMILES COc1cc(ccc1S(=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[N+]([O-])=O
Show InChI InChI=1S/C17H19N7O8S/c1-31-9-4-8(24(27)28)2-3-11(9)33(29,30)22-5-10-13(25)14(26)17(32-10)23-7-21-12-15(18)19-6-20-16(12)23/h2-4,6-7,10,13-14,17,22,25-26H,5H2,1H3,(H2,18,19,20)/t10-,13-,14-,17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
RNA guanine-N7 methyltransferase activating subunit


(Homo sapiens (Human))
BDBM533526
PNG
(jm2c00120, Compound 25)
Show SMILES CCN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)S(=O)(=O)c1ccc(OC)c(c1)C#N
Show InChI InChI=1S/C20H23N7O6S/c1-3-26(34(30,31)12-4-5-13(32-2)11(6-12)7-21)8-14-16(28)17(29)20(33-14)27-10-25-15-18(22)23-9-24-19(15)27/h4-6,9-10,14,16-17,20,28-29H,3,8H2,1-2H3,(H2,22,23,24)/t14-,16-,17-,20-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
PubMed
n/an/a 5.28E+4n/an/an/an/an/an/a



University of Montpellier



Assay Description
The transfer of tritiated methyl from [3H] SAM onto RNA substrate was monitored by filter-binding assay, performed according to the method described ...


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
Transmembrane protease serine 2


(Homo sapiens (Human))
BDBM533518
PNG
(jm2c00120, Compound 17)
Show SMILES CCN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)S(=O)(=O)c1ccc(Br)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C18H20BrN7O7S/c1-2-24(34(31,32)9-3-4-10(19)11(5-9)26(29)30)6-12-14(27)15(28)18(33-12)25-8-23-13-16(20)21-7-22-17(13)25/h3-5,7-8,12,14-15,18,27-28H,2,6H2,1H3,(H2,20,21,22)/t12-,14-,15-,18-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
PubMed
n/an/an/an/a 8.40E+4n/an/an/an/a



University of Montpellier



Assay Description
Ec50 of SARS-CoV-infected VeroE6 cells.


J Med Chem 65: 6231-6249 (2022)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%