BindingDB logo
myBDB logout

PubMed code 30940566

Compile data set for download or QSAR
Found 17 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


(Middle East respiratory syndrome-related coronavir...)
BDBM50523945
PNG
(CHEMBL4475926)
Show SMILES Cc1cc(C)n(c(=O)n1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C12H13N3O3S/c1-8-7-9(2)15(12(16)14-8)19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
3.66E+4n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Competitive-inhibition of MERS-CoV papain-like protease using varying levels of Z-Arg-Leu-Arg-Gly-Gly-AMC as substrate by Dixon-plot analysis


Bioorg Med Chem 27: 1981-1989 (2019)


Article DOI: 10.1016/j.bmc.2019.03.050
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Middle East respiratory syndrome-related coronavir...)
BDBM50523946
PNG
(ONO-1078)
Show SMILES O=C(NC1=CC=CC2C1OC(=CC2=O)c1nn[nH]n1)c1ccc(OCCCCc2ccccc2)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
1.27E+5n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Competitive-inhibition of MERS-CoV papain-like protease using varying levels of Z-Arg-Leu-Arg-Gly-Gly-AMC as substrate by Dixon-plot analysis


Bioorg Med Chem 27: 1981-1989 (2019)


Article DOI: 10.1016/j.bmc.2019.03.050
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Middle East respiratory syndrome-related coronavir...)
BDBM50523945
PNG
(CHEMBL4475926)
Show SMILES Cc1cc(C)n(c(=O)n1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C12H13N3O3S/c1-8-7-9(2)15(12(16)14-8)19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of MERS-CoV papain-like protease using Z-Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 5 mins followed by substrate addition and m...


Bioorg Med Chem 27: 1981-1989 (2019)


Article DOI: 10.1016/j.bmc.2019.03.050
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Middle East respiratory syndrome-related coronavir...)
BDBM50523946
PNG
(ONO-1078)
Show SMILES O=C(NC1=CC=CC2C1OC(=CC2=O)c1nn[nH]n1)c1ccc(OCCCCc2ccccc2)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of MERS-CoV papain-like protease using Z-Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 5 mins followed by substrate addition and m...


Bioorg Med Chem 27: 1981-1989 (2019)


Article DOI: 10.1016/j.bmc.2019.03.050
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Middle East respiratory syndrome-related coronavir...)
BDBM50001908
PNG
(1-(4-Nitro-phenyl)-piperazine | CHEMBL165012)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C10H13N3O2/c14-13(15)10-3-1-9(2-4-10)12-7-5-11-6-8-12/h1-4,11H,5-8H2
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.16E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of MERS-CoV papain-like protease using Z-Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 5 mins followed by substrate addition and m...


Bioorg Med Chem 27: 1981-1989 (2019)


Article DOI: 10.1016/j.bmc.2019.03.050
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Middle East respiratory syndrome-related coronavir...)
BDBM50523947
PNG
(CHEMBL4447423)
Show SMILES Nc1ccc(cn1)[N+]([O-])=O
Show InChI InChI=1S/C5H5N3O2/c6-5-2-1-4(3-7-5)8(9)10/h1-3H,(H2,6,7)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.37E+5n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of MERS-CoV papain-like protease using Z-Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 5 mins followed by substrate addition and m...


Bioorg Med Chem 27: 1981-1989 (2019)


Article DOI: 10.1016/j.bmc.2019.03.050
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Middle East respiratory syndrome-related coronavir...)
BDBM50523948
PNG
(CHEBI:78878 | CHEMBL1743207)
Show SMILES [O-][N+](=O)c1ccc(Cl)c2nonc12
Show InChI InChI=1S/C6H2ClN3O3/c7-3-1-2-4(10(11)12)6-5(3)8-13-9-6/h1-2H
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.41E+5n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of MERS-CoV papain-like protease using Z-Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 5 mins followed by substrate addition and m...


Bioorg Med Chem 27: 1981-1989 (2019)


Article DOI: 10.1016/j.bmc.2019.03.050
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Middle East respiratory syndrome-related coronavir...)
BDBM50523949
PNG
(4-Nitrocatechol | CHEBI:16318)
Show SMILES Oc1ccc(cc1O)[N+]([O-])=O
Show InChI InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H
PDB

UniProtKB/SwissProt

GoogleScholar
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.45E+5n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of MERS-CoV papain-like protease using Z-Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 5 mins followed by substrate addition and m...


Bioorg Med Chem 27: 1981-1989 (2019)


Article DOI: 10.1016/j.bmc.2019.03.050
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Middle East respiratory syndrome-related coronavir...)
BDBM50192743
PNG
(3,4-Dihydroxybenzaldehyde | CHEBI:50205 | PROTOCAT...)
Show SMILES Oc1ccc(C=O)cc1O
Show InChI InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H
PDB

UniProtKB/SwissProt

GoogleScholar
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.39E+5n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of MERS-CoV papain-like protease using Z-Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 5 mins followed by substrate addition and m...


Bioorg Med Chem 27: 1981-1989 (2019)


Article DOI: 10.1016/j.bmc.2019.03.050
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Middle East respiratory syndrome-related coronavir...)
BDBM50103596
PNG
((E)-2-hydroxy-5-((4-(N-pyridin-2-ylsulfamoyl)-phen...)
Show SMILES OC(=O)c1cc(ccc1O)\N=N\c1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)/b21-20+
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 7.60E+3n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to MERS-CoV papain-like protease by SPR analysis


Bioorg Med Chem 27: 1981-1989 (2019)


Article DOI: 10.1016/j.bmc.2019.03.050
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Middle East respiratory syndrome-related coronavir...)
BDBM50523950
PNG
(CHEMBL1368663)
Show SMILES COCC(=O)\C=C1/Sc2ccccc2N1C
Show InChI InChI=1S/C12H13NO2S/c1-13-10-5-3-4-6-11(10)16-12(13)7-9(14)8-15-2/h3-7H,8H2,1-2H3/b12-7-
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 7.60E+3n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to MERS-CoV papain-like protease by SPR analysis


Bioorg Med Chem 27: 1981-1989 (2019)


Article DOI: 10.1016/j.bmc.2019.03.050
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Middle East respiratory syndrome-related coronavir...)
BDBM50523944
PNG
(CHEMBL4544405)
Show SMILES Cn1c(NN=C2C(=O)NC(=O)NC2=O)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C12H12N8O5/c1-18-5-6(19(2)12(25)20(3)9(5)23)13-10(18)17-16-4-7(21)14-11(24)15-8(4)22/h1-3H3,(H,13,17)(H2,14,15,21,22,24)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 7.60E+3n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to MERS-CoV papain-like protease by SPR analysis


Bioorg Med Chem 27: 1981-1989 (2019)


Article DOI: 10.1016/j.bmc.2019.03.050
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Middle East respiratory syndrome-related coronavir...)
BDBM50523946
PNG
(ONO-1078)
Show SMILES O=C(NC1=CC=CC2C1OC(=CC2=O)c1nn[nH]n1)c1ccc(OCCCCc2ccccc2)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.41E+4n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to MERS-CoV papain-like protease by SPR analysis


Bioorg Med Chem 27: 1981-1989 (2019)


Article DOI: 10.1016/j.bmc.2019.03.050
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Middle East respiratory syndrome-related coronavir...)
BDBM50523945
PNG
(CHEMBL4475926)
Show SMILES Cc1cc(C)n(c(=O)n1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C12H13N3O3S/c1-8-7-9(2)15(12(16)14-8)19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 7.60E+3n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to MERS-CoV papain-like protease by SPR analysis


Bioorg Med Chem 27: 1981-1989 (2019)


Article DOI: 10.1016/j.bmc.2019.03.050
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Middle East respiratory syndrome-related coronavir...)
BDBM97231
PNG
(2-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]quinoline...)
Show SMILES OC(=O)c1cc(\C=C\c2ccc(cc2)N2CCOCC2)nc2ccccc12
Show InChI InChI=1S/C22H20N2O3/c25-22(26)20-15-17(23-21-4-2-1-3-19(20)21)8-5-16-6-9-18(10-7-16)24-11-13-27-14-12-24/h1-10,15H,11-14H2,(H,25,26)/b8-5+
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 7.60E+3n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to MERS-CoV papain-like protease by SPR analysis


Bioorg Med Chem 27: 1981-1989 (2019)


Article DOI: 10.1016/j.bmc.2019.03.050
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Middle East respiratory syndrome-related coronavir...)
BDBM50192743
PNG
(3,4-Dihydroxybenzaldehyde | CHEBI:50205 | PROTOCAT...)
Show SMILES Oc1ccc(C=O)cc1O
Show InChI InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H
PDB

UniProtKB/SwissProt

GoogleScholar
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 2.20E+5n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to MERS-CoV papain-like protease by SPR analysis


Bioorg Med Chem 27: 1981-1989 (2019)


Article DOI: 10.1016/j.bmc.2019.03.050
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Middle East respiratory syndrome-related coronavir...)
BDBM50384265
PNG
(CHEMBL2030452)
Show SMILES Cc1ccc(C)c(CSc2nc(C3CCCCC3)c(C#N)c(=O)[nH]2)c1
Show InChI InChI=1S/C20H23N3OS/c1-13-8-9-14(2)16(10-13)12-25-20-22-18(15-6-4-3-5-7-15)17(11-21)19(24)23-20/h8-10,15H,3-7,12H2,1-2H3,(H,22,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 7.60E+3n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to MERS-CoV papain-like protease by SPR analysis


Bioorg Med Chem 27: 1981-1989 (2019)


Article DOI: 10.1016/j.bmc.2019.03.050
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%