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SMILES: CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cc(Cl)ccc1C(O)=O)c1cccc(c1)C(O)=O

InChI Key: InChIKey=RMHAQSDBWLXMGQ-WQRHYEAKSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50176801   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM50176801
PNG
(CHEMBL3810366)
Show SMILES CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cc(Cl)ccc1C(O)=O)c1cccc(c1)C(O)=O |t:1|
Show InChI InChI=1S/C23H15ClN2O6/c1-12-18(21(27)26(25-12)15-4-2-3-13(9-15)22(28)29)11-16-6-8-20(32-16)19-10-14(24)5-7-17(19)23(30)31/h2-11H,1H3,(H,28,29)(H,30,31)/b18-11-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.70E+4n/an/an/an/an/an/a



Shanghai Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus H1N1 neuraminidase using MU-NANA as substrate preincubated for 10 mins followed by substrate addition and measured af...


ACS Med Chem Lett 10: 1667-1673 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00447
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50176801
PNG
(CHEMBL3810366)
Show SMILES CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cc(Cl)ccc1C(O)=O)c1cccc(c1)C(O)=O |t:1|
Show InChI InChI=1S/C23H15ClN2O6/c1-12-18(21(27)26(25-12)15-4-2-3-13(9-15)22(28)29)11-16-6-8-20(32-16)19-10-14(24)5-7-17(19)23(30)31/h2-11H,1H3,(H,28,29)(H,30,31)/b18-11-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Academia Sinica

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus recombinant 3CL-PRO expressed in Escherichia coli JM109 cells using Dabcyl-KTSAVLQSGFRKME-Edans as fluorogenic substra...


Bioorg Med Chem 24: 3035-3042 (2016)


BindingDB Entry DOI: 10.7270/Q2ZK5JK9
More data for this
Ligand-Target Pair