BindingDB logo
myBDB logout

BDBM11243 AG7088::CHEMBL20210::US11859014, Compound rupintrivir::cmdc.202100576, 24f::ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-methyl-5-{[(5-methylisoxazol-3-yl)carbonyl]amino}-4-oxoheptanoyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate::ethyl (2E,4S)-4-[(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methyl-1,2-oxazol-3-yl)formamido]-4-oxoheptanamido]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate::med.21724, Compound 29

SMILES: CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C)Cc1ccc(F)cc1

InChI Key: InChIKey=CAYJBRBGZBCZKO-UHFFFAOYSA-N

Data: 2 KI  9 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 11243   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Replicase polyprotein 1ab


(SARS-CoV)
BDBM11243
PNG
(ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...)
GoogleScholar
UniChem
n/an/a>1.00E+5n/an/an/an/a7.025


TBA



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


(SARS-CoV)
BDBM11243
PNG
(ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...)
GoogleScholar
UniChem
n/an/a 8.00E+5n/an/an/an/an/an/a


TBA



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


(HCoV-229E)
BDBM11243
PNG
(ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...)
GoogleScholar
UniChem
n/an/a>2.00E+4n/an/an/an/an/an/a


TBA



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


(2019-nCoV)
BDBM11243
PNG
(ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...)
GoogleScholar
UniChem
n/an/a>2.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Genome polyprotein


(Norovirus Hu/GII.P4_GII.4/Minerva)
BDBM11243
PNG
(ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...)
GoogleScholar
UniChem
n/an/a 2.36E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM11243
PNG
(ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...)
GoogleScholar
UniChem
n/an/an/an/a 5n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM11243
PNG
(ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...)
GoogleScholar
UniChem
n/an/a 23n/an/an/an/an/an/a


TBA



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


(2019-nCoV)
BDBM11243
PNG
(ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...)
GoogleScholar
UniChem
n/an/a>2.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase alpha


(Human)
BDBM11243
PNG
(ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...)
GoogleScholar
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Human)
BDBM11243
PNG
(ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...)
GoogleScholar
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



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


(2019-nCoV)
BDBM11243
PNG
(ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...)
GoogleScholar
UniChem
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Human)
BDBM11243
PNG
(ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...)
GoogleScholar
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase alpha


(Human)
BDBM11243
PNG
(ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...)
GoogleScholar
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Genome polyprotein


(Norovirus Hu/GII.P4_GII.4/Minerva)
BDBM11243
PNG
(ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...)
GoogleScholar
UniChem
8.20E+3n/an/an/an/an/an/an/an/a


TBA



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


(SARS-CoV)
BDBM11243
PNG
(ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...)
GoogleScholar
UniChem
>1.00E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair